data_1q60_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1q60 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.6 mt -41.39 -56.52 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -53.29 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -47.65 83.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -52.3 -59.92 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG11 ' CE2' ' A' ' 16' ' ' PHE . 46.7 t -54.98 -31.0 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -65.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -52.83 -40.87 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.7 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CE2' HG11 ' A' ' 12' ' ' VAL . 23.0 m-85 -53.44 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 31' ' ' LYS . 4.6 m120 -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -62.76 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.9 mmtt -41.08 -47.27 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -48.65 -67.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 108.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.53 -46.78 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -31.64 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -60.6 -43.61 97.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.558 HD22 ' CD2' ' A' ' 86' ' ' PHE . 3.0 mm? -75.98 -15.68 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.92 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.11 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.88 169.82 9.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -112.13 12.95 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -127.72 -177.4 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.36 148.47 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 31' ' ' LYS . 20.9 t -139.26 121.6 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -39.74 122.42 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.437 HG11 ' CD2' ' A' ' 34' ' ' PHE . 55.7 t -64.19 112.17 7.04 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.437 ' CD2' HG11 ' A' ' 32' ' ' VAL . 47.0 m-85 -38.0 -38.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.6 -48.95 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' PRO . 18.3 mt -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 87.5 m-85 -81.04 -22.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.07 -37.32 22.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -85.59 -40.41 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -123.57 74.1 53.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.3 15.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.0 41.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -164.0 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.5 m-85 -115.82 134.26 55.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.555 ' CE1' ' HB ' ' A' ' 79' ' ' ILE . 20.3 p90 -173.75 150.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.563 HG23 ' CZ ' ' A' ' 78' ' ' PHE . 62.9 t -99.29 137.34 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 170.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.98 -24.08 20.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 31.4 mt -42.61 151.41 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.53 26.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.05 147.84 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.12 24.29 9.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.9 t -130.57 91.76 36.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.506 ' CE1' HG23 ' A' ' 46' ' ' VAL . 35.2 t80 -89.59 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -80.63 -178.19 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 144.48 90.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.75 21.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.458 1.767 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.5 p -89.12 48.97 1.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.05 -43.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.8 177.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -95.95 -177.23 36.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.9 mt -67.23 -45.48 50.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.447 1.762 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -33.69 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.32 -50.83 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.42 -38.13 88.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -49.51 -38.57 30.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mt -69.89 -62.81 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.27 -49.55 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -39.91 -40.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -112.45 53.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -83.62 -8.57 59.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.89 -26.32 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -80.41 -35.76 34.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.2 mt -54.65 143.38 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.64 150.13 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 7.2 m-85 -110.74 124.53 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.555 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 1.1 mp -102.92 119.05 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mm -116.36 111.68 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.24 -36.14 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.67 81.47 40.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.31 12.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.93 -18.62 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -92.7 -8.57 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -86.4 -34.54 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.02 -43.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.5 m -52.47 -46.09 66.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -64.01 -53.55 48.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.24 -32.71 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -55.96 -50.75 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.2 mttt -38.91 -61.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -54.71 41.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -50.98 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG11 ' CE2' ' A' ' 16' ' ' PHE . 86.3 t -43.53 -46.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.47 -47.94 63.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -67.93 -41.98 81.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.5 tp -45.97 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CE2' HG11 ' A' ' 12' ' ' VAL . 22.3 m-85 -48.19 -64.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 7.6 m120 -40.66 -64.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -61.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 8.1 mmmt -43.86 -40.97 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 3.7 t -43.87 -70.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.326 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.12 -45.52 81.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -40.48 14.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.7 -57.74 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.71 -14.47 62.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.51 69.92 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -126.77 164.01 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.66 -9.63 37.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -112.58 -175.06 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . -100.96 170.71 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 9.3 t -150.63 119.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -40.19 121.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.54 112.81 9.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.249 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . 70.2 m-85 -35.74 -35.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -54.95 -53.91 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 33' ' ' PRO . 22.9 mt -51.41 -38.69 54.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 76.9 m-85 -79.36 -24.69 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' PHE . 5.1 mm-40 -79.41 -28.7 41.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -97.08 -39.0 9.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CE2' ' HE2' ' A' ' 85' ' ' MET . 22.9 m-85 -128.76 71.33 81.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.85 9.66 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.05 -22.7 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.48 -37.16 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 43.3 m-85 -120.32 119.97 34.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.556 ' CE1' HG13 ' A' ' 79' ' ' ILE . 50.0 p90 -161.2 154.41 21.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.481 HG22 ' CE1' ' A' ' 55' ' ' PHE . 15.1 t -103.06 146.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -129.13 142.35 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.34 -20.31 9.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -48.91 151.28 2.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.82 141.05 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.15 10.61 59.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.7 t -127.98 95.4 34.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.54 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.481 ' CE1' HG22 ' A' ' 46' ' ' VAL . 46.7 t80 -96.36 39.12 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -76.91 -178.82 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -62.14 150.5 83.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 p -72.51 58.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.43 -47.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -53.52 176.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.25 -177.31 51.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -68.53 -44.92 35.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -36.07 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 7.4 mt -60.11 -57.38 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.18 -45.73 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -44.37 -50.36 9.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.5 mt -54.07 -60.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 8' ' ' LEU . 5.2 mt -43.85 -58.22 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -39.15 -33.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -116.47 54.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.2 pttt -88.89 -13.67 38.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.62 -31.77 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -29.41 63.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 37.9 mt -61.47 147.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.5 tttt -150.68 148.44 28.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.525 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 2.8 m-85 -103.4 127.27 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.556 HG13 ' CE1' ' A' ' 45' ' ' TYR . 8.2 mm -106.73 132.74 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.412 HD12 ' CZ ' ' A' ' 86' ' ' PHE . 1.5 mt -138.51 111.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.5 -12.49 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.8 mttt -139.35 80.88 21.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -10.17 21.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.04 -19.4 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.558 ' HE2' ' CE2' ' A' ' 40' ' ' PHE . 92.8 mtp -93.06 -7.05 46.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CZ ' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -89.16 -34.11 16.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -48.76 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -48.83 -49.17 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.78 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mt -51.95 -32.03 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 tttp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' VAL . 1.1 mm? -53.47 -49.66 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 48.4 mttt -38.32 -59.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.1 79.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.565 HG12 ' CE2' ' A' ' 16' ' ' PHE . 22.8 t -43.97 -37.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 7.3 mm-40 -58.89 -60.33 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.69 -36.07 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.6 tp -47.86 -70.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.5 m-85 -45.83 -63.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -39.99 -63.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -54.55 9.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 12.3 mmtt -50.07 -54.83 17.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.7 t -42.14 -66.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' CA ' HG21 ' A' ' 30' ' ' VAL . . . -44.79 -42.99 7.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -35.39 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.16 87.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.69 -14.45 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.6 28.41 12.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.9 mt -96.51 167.84 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 9.39 30.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -126.43 -178.09 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.5 156.71 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.417 HG21 ' CA ' ' A' ' 21' ' ' GLY . 30.7 t -149.71 124.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 2.1 ttpt -40.91 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.0 t -107.89 107.07 59.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.501 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.04 66.35 6.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -41.29 -27.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -66.46 -53.04 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -27.85 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -85.2 -26.73 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 39' ' ' SER . 2.7 pt-20 -84.04 -46.2 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 44.3 m -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CE2' ' HE2' ' A' ' 85' ' ' MET . 33.0 m-85 -133.44 70.88 76.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 2.4 tt0 -86.97 44.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -172.17 -43.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 56.7 m-85 -110.77 125.68 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 79' ' ' ILE . 10.9 p90 -170.87 155.29 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 78.3 t -104.13 145.46 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -127.43 169.51 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.61 -26.92 15.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.403 HD23 ' CD1' ' A' ' 76' ' ' ILE . 31.7 mt -40.9 151.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.4 Cg_endo -75.07 127.88 10.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.51 131.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.79 -8.93 78.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.7 t -115.13 107.35 49.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -167.67 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 37.3 t80 -107.7 37.04 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 177.45 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -57.46 147.99 56.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.96 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -56.81 -18.02 11.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.16 -33.66 38.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 69' ' ' ILE . 16.9 m-85 -69.52 169.23 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 66' ' ' LEU . . . -90.41 -174.43 44.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.9 mt -64.79 -45.7 75.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -57.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 1.3 ttm-85 -46.54 -33.14 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 10.4 mt -64.63 -57.45 9.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -46.86 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -42.93 -51.99 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.496 ' CD1' ' CD2' ' A' ' 61' ' ' PHE . 3.7 mt -52.07 -60.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 72' ' ' ASN . 7.4 mt -42.95 -56.47 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -38.54 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.445 ' O ' ' CD1' ' A' ' 76' ' ' ILE . 90.6 m-20 -119.4 57.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 74' ' ' ALA . 41.3 pttt -87.83 -49.82 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 73' ' ' LYS . . . -67.89 -37.74 82.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -64.51 -50.29 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 72' ' ' ASN . 8.6 mt -40.91 145.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -149.32 143.62 25.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 5.2 m-85 -106.03 128.34 53.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mp -106.12 121.31 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.6 mm -122.21 111.49 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -90.7 -35.68 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 2.7 mmtt -117.63 80.57 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.762 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.27 -12.55 57.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.472 ' HE2' ' CE2' ' A' ' 40' ' ' PHE . 14.1 mmm -90.01 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.501 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.8 m-85 -82.26 -28.36 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.44 -40.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.2 m -59.82 -44.39 94.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -71.2 -38.93 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.22 -22.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.2 tttt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -52.84 -56.1 18.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -44.94 -59.7 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.07 58.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -50.19 -57.35 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.508 HG12 ' CE2' ' A' ' 16' ' ' PHE . 90.7 t -58.77 -43.65 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -49.51 -48.72 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.65 -45.41 83.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.483 HD11 ' CE ' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -41.36 -61.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.508 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.4 m-85 -53.21 -37.9 62.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.71 -51.14 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.81 -69.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' CE ' HD11 ' A' ' 15' ' ' LEU . 14.1 mptt -39.39 -48.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 t -48.4 -63.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.66 -32.79 32.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.31 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.16 89.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.0 -19.18 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.06 37.43 4.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.7 mt -113.21 169.45 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -111.45 10.91 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -118.81 178.87 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.33 146.02 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -137.86 126.45 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.67 121.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 16' ' ' PHE . 76.5 t -68.39 113.13 13.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -75.01 72.94 4.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -51.08 -22.8 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.8 -28.06 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.1 -32.6 59.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 84.6 m-85 -83.76 -34.98 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.0 pt-20 -67.74 -47.41 69.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 1.9 m -74.52 -41.86 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -127.08 72.05 76.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -19.42 17.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.15 -22.0 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -95.3 -38.57 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.521 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 58.1 m-85 -123.46 135.95 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.57 ' CE2' HG21 ' A' ' 79' ' ' ILE . 25.1 p90 -171.32 156.57 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.55 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 74.8 t -107.65 145.63 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -123.65 175.5 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.99 -25.45 9.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.0 mt -42.68 149.95 0.45 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 159.61 41.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.3 144.36 36.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.85 14.85 46.55 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.14 95.08 37.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.55 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 7.2 t80 -97.85 34.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.91 -178.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -64.71 146.08 98.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.66 21.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.3 m -92.63 50.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.45 -43.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -47.27 158.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.07 164.68 54.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 93.0 mt -56.85 -44.35 99.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.97 -44.79 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -50.77 -40.99 56.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.18 -50.4 61.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.1 -35.58 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -53.72 -40.32 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.82 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -41.49 -49.98 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -39.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -112.82 54.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.9 pttt -91.32 0.3 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.89 -18.46 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -94.42 -28.8 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 77' ' ' LYS . 18.9 mt -52.99 147.82 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -149.95 146.94 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.447 ' CD1' HG23 ' A' ' 46' ' ' VAL . 4.2 m-85 -111.41 123.08 49.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.57 HG21 ' CE2' ' A' ' 45' ' ' TYR . 1.2 mp -97.97 123.82 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.5 mm -123.29 111.58 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -89.26 -39.3 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -120.64 86.93 40.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.52 4.47 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.92 -17.87 11.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 94.2 mtp -86.64 -20.24 28.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.6 m-85 -82.24 -33.04 29.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.3 -48.7 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 m -45.57 -53.19 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.39 -58.17 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.2 mt -47.33 -42.59 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 1.4 mm? -49.07 -49.65 40.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -38.47 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.39 -56.8 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -56.38 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG11 ' CE2' ' A' ' 16' ' ' PHE . 24.0 t -56.99 -36.89 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.5 -67.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -56.3 -36.07 68.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.3 tp -46.48 -66.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 12' ' ' VAL . 22.6 m-85 -50.77 -61.59 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -42.45 -61.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.68 -59.99 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 17.8 mmtt -47.49 -54.04 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.25 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.438 ' CA ' HG22 ' A' ' 30' ' ' VAL . . . -46.01 -41.67 11.07 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -34.74 78.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -62.07 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 24' ' ' LEU . 3.3 mm? -76.58 -17.15 59.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.21 41.1 4.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -115.99 170.63 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.24 -12.14 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -98.94 -175.43 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.76 149.65 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.438 HG22 ' CA ' ' A' ' 21' ' ' GLY . 51.0 t -136.86 125.86 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -40.24 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.7 t -105.36 107.27 58.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 64.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -39.14 -29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -66.18 -57.78 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 mt -46.92 -27.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' CA ' ' A' ' 41' ' ' PRO . 42.9 m-85 -84.37 -40.29 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 39' ' ' SER . 6.2 pt-20 -70.14 -47.37 61.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.518 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 5.8 m -70.72 -40.78 72.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.1 69.75 81.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.432 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.01 -25.44 11.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -1.2 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.43 -40.29 2.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -125.1 118.46 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.553 ' CE2' HG21 ' A' ' 79' ' ' ILE . 29.5 p90 -152.57 154.8 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.562 HG13 ' CD1' ' A' ' 78' ' ' PHE . 56.0 t -105.17 146.58 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' N ' HG12 ' A' ' 46' ' ' VAL . 1.4 mm-40 -126.11 174.0 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -26.15 9.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.1 mt -40.78 150.04 0.31 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.59 24.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -52.01 126.18 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.57 70.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.0 t -122.79 101.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.468 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 15.1 t80 -85.88 56.8 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -179.9 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.4 146.31 91.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 p -82.23 52.46 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.5 -43.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.421 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 15.5 m-85 -52.62 175.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.48 -179.19 43.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 14.0 mt -67.42 -44.8 47.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.03 -52.73 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm180 -49.01 -34.79 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 7.6 mt -60.34 -56.65 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.64 -36.98 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -39.01 57.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.5 mt -66.42 -56.31 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.1 mt -43.64 -49.94 7.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 mtp180 -38.4 -36.38 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.491 ' O ' ' CD1' ' A' ' 76' ' ' ILE . 79.4 m-20 -113.08 55.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.5 pttt -86.7 -24.39 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.89 -39.79 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.89 -43.41 96.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 72' ' ' ASN . 10.4 mt -43.56 139.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -150.4 140.77 22.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CD1' HG13 ' A' ' 46' ' ' VAL . 3.9 m-85 -103.66 138.2 40.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.553 HG21 ' CE2' ' A' ' 45' ' ' TYR . 1.4 mp -110.3 122.59 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.0 mm -121.65 111.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -88.28 -36.55 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -127.34 90.94 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.85 10.57 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mmm -81.5 -11.09 59.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.3 m-85 -93.21 -34.31 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -39.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 m -55.35 -42.75 74.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -73.25 -44.32 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.1 mt -54.3 -28.29 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.5 mt -48.69 -50.47 33.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 20.4 mttt -53.23 -58.7 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -42.22 61.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.2 t -61.64 -28.99 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 10.3 mm-40 -62.15 -57.14 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.5 tp -51.68 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.411 ' CE2' HG11 ' A' ' 12' ' ' VAL . 21.2 m-85 -45.01 -60.14 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -42.51 -66.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -62.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.5 mmtt -40.79 -51.06 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -42.55 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.18 -40.55 7.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -34.82 79.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -60.46 -43.27 97.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 86' ' ' PHE . 1.9 mm? -73.16 -13.12 61.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 37.4 6.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 mt -111.8 169.02 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -108.63 13.33 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -122.5 -179.41 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.74 156.18 17.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' LYS . 23.6 t -150.82 123.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.94 152.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -104.13 111.03 65.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.43 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.99 64.74 6.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -39.74 -34.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -57.57 -54.8 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.642 ' CD2' ' CE2' ' A' ' 44' ' ' PHE . 3.8 mp -46.66 -44.33 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -68.12 -24.71 65.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' ALA . 8.4 mm-40 -87.19 -57.91 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -68.78 -36.68 78.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 m-85 -126.07 71.02 68.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -25.96 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.72 44.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.76 -45.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.642 ' CE2' ' CD2' ' A' ' 36' ' ' LEU . 41.5 m-85 -115.71 115.79 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.581 ' CZ ' ' CG2' ' A' ' 79' ' ' ILE . 49.7 p90 -158.29 150.67 22.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.542 HG22 ' CE1' ' A' ' 78' ' ' PHE . 40.7 t -105.4 130.48 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.19 171.05 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.24 -31.28 7.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.5 mt -40.53 150.81 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 161.5 38.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 143.91 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.63 15.28 53.44 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.99 92.43 39.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.0 t80 -92.42 38.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 mmm-85 -71.52 178.23 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -66.2 147.6 98.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.462 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.05 -39.5 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 m -73.11 58.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.26 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.93 178.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.03 173.64 34.86 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.463 1.102 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 28.5 mt -61.65 -44.33 91.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.93 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -34.23 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.33 -54.84 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.28 -36.63 75.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.77 -41.01 61.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 mt -70.59 -59.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.82 -47.29 8.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -42.42 -42.97 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -109.16 53.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -86.43 -8.41 57.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.65 -27.71 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -79.63 -35.15 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.459 HG21 ' CG1' ' A' ' 46' ' ' VAL . 33.2 mt -53.12 147.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.07 146.39 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CE1' HG22 ' A' ' 46' ' ' VAL . 4.9 m-85 -107.85 119.73 40.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.581 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 4.1 mm -94.42 127.62 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 86' ' ' PHE . 2.4 mm -128.61 111.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -99.02 -17.74 18.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 24.8 mttt -131.19 80.97 67.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.89 10.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.49 -30.56 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.0 mmm -78.35 -21.48 49.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.53 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.6 m-85 -78.77 -28.69 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -44.88 10.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -55.5 -41.28 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.74 66.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.76 -27.23 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -40.7 -55.34 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLU . 7.7 mttt -44.2 -59.74 2.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -49.45 60.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -57.7 -44.22 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.11 -33.12 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.8 mm-40 -60.07 -51.18 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -44.93 -68.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.417 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 22.8 m-85 -49.88 -61.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' PHE . 5.0 m120 -40.43 -62.75 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.87 -54.03 13.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 7.2 mmtt -48.29 -42.08 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t -61.89 -60.28 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.58 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -55.65 -23.02 34.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.53 -35.26 24.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.63 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.01 -19.73 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 43.73 2.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.28 170.6 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 9.6 mttm -113.12 22.88 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 1.6 pm0 -118.98 171.99 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.19 160.78 14.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.58 HG12 ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -161.85 119.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.78 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.7 t -99.46 110.73 59.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 76.99 3.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -53.92 -18.63 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.85 60.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.43 -37.35 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 90.7 m-85 -79.96 -35.37 37.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.8 pt-20 -63.84 -47.22 81.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.502 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 46.5 m -76.62 -39.26 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -127.05 70.74 75.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.405 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.01 -23.73 13.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.53 -43.5 80.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.73 -53.08 7.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 36.8 m-85 -103.54 138.25 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.589 ' CZ ' ' CG2' ' A' ' 79' ' ' ILE . 38.7 p90 -178.5 152.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.525 HG22 ' CZ ' ' A' ' 78' ' ' PHE . 50.8 t -105.92 133.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -117.94 163.23 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.55 45.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.6 mt -42.81 150.77 0.42 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 160.97 39.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.56 145.23 40.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.26 17.79 32.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.83 92.53 36.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.95 4.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 31.6 t80 -93.8 53.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -88.08 178.37 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 147.66 98.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.8 17.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -84.44 49.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -43.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -49.13 164.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 66' ' ' LEU . . . -87.57 -174.93 48.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.4 mt -66.3 -45.49 60.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.17 -32.23 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 9.7 mt -63.3 -49.01 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.49 -38.51 81.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -46.31 -40.49 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.64 -59.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.407 HD21 ' CE ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -43.6 -45.78 6.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -47.11 -37.6 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -117.8 53.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' CE ' HD21 ' A' ' 70' ' ' LEU . 10.3 ptpp? -81.92 -32.3 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.85 36.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.63 -39.11 91.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.2 mt -52.62 151.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.7 tttt -150.72 146.09 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 8.9 m-85 -110.46 118.08 35.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.589 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 3.6 mm -95.12 132.48 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.69 111.52 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -98.52 -20.01 17.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -127.51 77.41 75.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 93.0 mtp -87.77 -10.2 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -91.29 -24.62 19.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 -47.86 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -48.95 -43.11 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -69.69 -62.29 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.6 mt -40.7 -42.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 70' ' ' LEU . 96.4 mt -48.75 -48.79 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.4 tttt -45.44 -47.7 13.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.36 -56.98 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -43.56 -50.0 7.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 69.8 t -64.59 -41.43 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 15.7 mt-10 -57.73 -55.1 39.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -40.28 90.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -45.78 -67.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -46.59 -57.28 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -45.02 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.7 7.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.6 mmtt -56.0 -45.7 78.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.415 ' HB3' HG12 ' A' ' 30' ' ' VAL . 11.8 t -46.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.559 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -51.99 -20.13 6.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -36.94 36.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.63 78.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.68 -7.68 49.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.42 30.66 21.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.48 170.98 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -112.28 23.87 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -114.0 169.67 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.83 140.58 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -146.33 119.17 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 149.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.6 t -98.9 114.84 65.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 76.37 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -50.69 -25.95 4.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.52 75.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.1 mt -70.23 -40.52 74.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 96.6 m-85 -75.02 -15.86 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -91.54 -35.86 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -84.98 -36.09 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -127.9 72.3 78.79 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -17.71 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.28 36.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -161.81 -45.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 40.2 m-85 -112.15 127.68 56.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.432 ' CE1' ' HB ' ' A' ' 79' ' ' ILE . 10.1 p90 -171.9 151.79 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.551 HG22 ' CE2' ' A' ' 55' ' ' PHE . 84.0 t -98.67 149.7 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mt-10 -130.08 164.52 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.7 -26.23 22.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.7 mt -42.65 151.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.77 32.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.564 1.823 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 152.11 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.85 22.28 2.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -130.8 91.7 36.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.91 9.3 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CE2' HG22 ' A' ' 46' ' ' VAL . 32.9 t80 -90.07 36.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 mmt180 -65.55 174.66 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -62.11 150.51 83.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.04 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -69.58 60.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.73 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.491 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 8.9 m-85 -51.81 161.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.84 -178.29 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 27.0 mt -71.64 -45.24 12.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -44.23 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.491 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -51.63 -41.43 61.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.74 -49.26 71.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.22 96.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -52.66 -39.76 62.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.3 mt -67.23 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD1' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -46.34 -51.35 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.27 50.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 74' ' ' ALA . 2.3 ptpp? -75.38 -49.38 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 73' ' ' LYS . . . -64.37 -44.05 92.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -55.44 -46.53 76.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.0 mt -46.01 147.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.4 tttt -150.61 135.18 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 7.9 m-85 -92.6 132.34 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.432 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 14.7 mm -112.51 135.58 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -140.1 112.98 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -97.2 -11.02 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 43.7 mttt -137.43 72.6 50.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -79.12 -19.68 50.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.1 mmm -99.3 -2.76 35.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.88 -34.03 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.61 -53.31 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.2 m -42.1 -50.29 4.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.62 61.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.4 mt -55.83 -18.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 1.2 mm? -54.95 -41.49 71.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.14 -57.01 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLU . 1.6 tt0 -66.94 -64.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' GLN . 1.1 mtpp -38.78 -48.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 16' ' ' PHE . 77.3 t -65.18 -46.95 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' GLN . 3.2 mt-10 -47.98 -52.71 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' LEU . 9.8 m-80 -63.84 -46.79 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.4 tp -40.09 -65.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CE2' HG11 ' A' ' 12' ' ' VAL . 23.1 m-85 -51.44 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -44.01 -60.42 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -59.98 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 17.5 mmtt -41.52 -52.62 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -47.06 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.43 -33.89 8.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -44.62 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.56 88.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.35 39.18 4.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.32 170.81 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.84 12.6 27.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -126.24 -179.34 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.87 157.61 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.1 t -143.6 120.02 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.75 123.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.0 t -69.87 115.52 34.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' PRO . 45.0 m-85 -34.16 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.3 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' PRO . 61.8 mt -48.29 -38.11 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 61.5 m-85 -78.43 -27.83 46.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -72.79 -39.46 66.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -88.9 -35.25 16.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -128.8 73.11 81.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.055 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.13 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.44 -35.66 76.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -82.77 -49.38 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 34.8 m-85 -111.37 129.42 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.582 ' CE2' HG13 ' A' ' 79' ' ' ILE . 17.9 p90 -170.45 154.59 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' CE2' ' A' ' 55' ' ' PHE . 98.2 t -105.11 127.31 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -107.92 163.62 12.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 -25.58 26.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.3 mt -40.84 152.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.2 Cg_endo -74.97 152.09 40.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.34 140.15 34.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.3 10.91 58.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -127.96 93.41 39.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -175.96 2.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.543 ' CE2' HG23 ' A' ' 46' ' ' VAL . 11.4 t80 -90.56 36.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -178.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.74 149.7 97.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.96 -47.59 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 m -71.24 60.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.61 -48.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -50.87 162.91 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.15 -179.3 21.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -69.38 -44.61 26.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.0 Cg_endo -75.06 -51.63 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.438 1.757 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.95 -39.77 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 7.1 mt -56.36 -58.63 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.0 -42.93 50.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -47.99 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mt -44.23 -54.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -51.52 -58.15 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -43.05 -27.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.469 ' CB ' ' HD3' ' A' ' 75' ' ' LYS . 75.1 m-20 -116.63 47.79 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pttp -95.98 1.08 52.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.87 -41.35 6.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -75.61 -37.48 59.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.2 mt -43.65 144.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 16.1 tttt -150.61 153.94 36.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 5.1 m-85 -114.17 128.97 56.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.582 HG13 ' CE2' ' A' ' 45' ' ' TYR . 3.2 mm -101.83 138.38 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -139.16 111.34 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -100.29 -10.71 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -145.79 78.72 11.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.92 20.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.789 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.75 -38.55 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.58 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -36.37 32.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -50.75 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.6 m -46.37 -44.04 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.42 -57.98 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.3 mt -47.83 -41.73 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -56.5 -50.8 70.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mttt -38.16 -56.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -47.64 84.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.63 -71.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 16' ' ' PHE . 53.1 t -42.77 -41.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.87 -53.72 44.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -64.08 -44.08 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.435 HD11 ' CG ' ' A' ' 19' ' ' LYS . 1.9 tp -41.52 -65.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.1 m-85 -51.14 -63.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -40.69 -60.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -50.91 -62.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.5 mmtt -40.3 -52.37 2.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -43.64 -65.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.298 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' LEU . . . -50.39 -28.05 13.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.18 -40.48 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.15 -46.31 82.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 86' ' ' PHE . 2.8 mm? -71.09 -16.78 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.38 57.8 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' GLY . 28.5 mt -127.29 168.92 14.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.61 13.71 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -126.23 -177.91 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.12 157.48 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' LYS . 17.0 t -148.29 121.77 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -39.89 133.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.4 t -82.18 114.04 48.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 61.12 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -39.21 -41.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.65 -51.78 45.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.592 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 7.0 mp -50.73 -45.38 58.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -72.8 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.8 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -35.27 76.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.536 ' CE2' ' HE2' ' A' ' 85' ' ' MET . 31.9 m-85 -123.63 73.98 53.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -26.91 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.92 47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -169.75 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 37.0 m-85 -120.33 117.56 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.519 ' CZ ' HG22 ' A' ' 79' ' ' ILE . 29.0 p90 -158.14 155.12 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 64.3 t -109.38 133.7 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mt-10 -117.35 138.42 51.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.35 -25.69 5.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.7 mt -43.82 152.71 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.59 38.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.18 139.21 36.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.65 6.1 65.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 69' ' ' ILE . 35.2 t -126.14 95.06 39.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.06 3.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.3 t80 -90.33 37.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.86 -178.59 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -68.66 149.91 97.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -46.13 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.0 p -69.26 61.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.13 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 14.6 m-85 -55.33 161.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.65 -179.62 8.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 mt -70.79 -44.94 16.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -48.75 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -41.29 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 8.5 mt -55.74 -59.11 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.06 -43.83 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -47.66 -64.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.45 HG13 ' CG1' ' A' ' 53' ' ' VAL . 5.9 mt -39.92 -53.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 8' ' ' LEU . 2.0 mt -55.06 -56.93 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -38.72 -37.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -107.89 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -86.53 -13.21 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.55 -39.92 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -69.04 -35.06 76.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.52 143.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.4 tttp -150.9 135.36 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 10.5 m-85 -95.96 128.35 42.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.519 HG22 ' CZ ' ' A' ' 45' ' ' TYR . 11.8 mm -111.81 131.15 63.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.563 HD11 ' CZ ' ' A' ' 86' ' ' PHE . 1.5 mt -128.01 111.59 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.1 -23.73 19.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 13.6 mttm -128.55 72.96 80.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.52 20.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -71.35 -13.38 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.536 ' HE2' ' CE2' ' A' ' 40' ' ' PHE . 1.6 mmm -96.97 -25.61 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CD2' HD23 ' A' ' 24' ' ' LEU . 1.1 m-85 -66.76 -26.69 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -61.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.2 m -49.32 -32.11 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -76.52 -45.25 31.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.6 mt -56.94 -31.96 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 70' ' ' LEU . 15.9 mt -42.96 -59.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 13' ' ' GLU . 8.2 mttt -42.26 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -51.76 63.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.74 -58.14 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.583 HG12 ' CE2' ' A' ' 16' ' ' PHE . 98.5 t -58.68 -27.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.75 -69.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -52.27 -34.83 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.17 -58.82 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.583 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.3 m-85 -57.03 -48.52 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -52.81 -61.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -59.37 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.64 -44.41 26.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -43.82 -71.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.66 -43.69 8.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -35.92 68.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -60.08 -55.53 32.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.75 -13.52 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.59 62.33 1.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.5 mt -123.78 164.48 19.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -101.44 9.47 41.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -131.23 -175.56 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.71 164.07 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -151.68 119.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 115.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.502 ' CG2' ' SG ' ' A' ' 20' ' ' CYS . 59.7 t -75.63 116.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 72.38 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -45.29 -23.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.38 -49.82 31.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -49.06 -37.04 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 75.3 m-85 -75.73 -31.53 59.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.44 -36.19 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -46.0 10.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -124.08 73.1 56.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.48 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.13 -51.0 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.518 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.0 m-85 -107.78 128.78 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.593 ' CZ ' ' CG2' ' A' ' 79' ' ' ILE . 25.3 p90 -168.53 154.63 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 55' ' ' PHE . 33.2 t -110.89 137.72 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -114.29 166.47 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.8 -29.97 9.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.4 mt -40.62 152.3 0.24 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 176.33 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.09 148.76 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.34 25.21 8.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.9 96.32 23.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 179.84 5.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 10.2 t80 -96.42 38.43 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -77.93 -173.25 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 151.49 70.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -26.04 11.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 59' ' ' SER . 7.7 p -73.33 57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.961 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.53 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 66' ' ' LEU . . . -100.13 -177.45 30.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.4 mt -69.4 -45.14 27.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.98 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.19 -31.11 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 11.5 mt -65.52 -48.84 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.446 ' HG2' ' CD2' ' A' ' 8' ' ' LEU . 2.2 mm-40 -65.78 -39.87 91.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -45.5 -43.63 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.3 mt -65.98 -59.33 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -40.38 -51.78 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.2 mtm180 -37.75 -41.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -117.06 53.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -79.14 -39.61 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.78 -46.36 37.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -53.93 -47.1 71.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.456 HG22 ' CG1' ' A' ' 46' ' ' VAL . 13.3 mt -42.39 151.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 139.7 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -101.09 134.01 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.593 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 18.6 mm -111.6 125.26 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mm -126.1 111.25 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -99.44 -14.63 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -139.56 77.2 28.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.82 17.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.18 -34.98 25.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 92.6 mtp -74.61 -9.77 58.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -83.87 -24.72 30.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -38.46 -43.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 m -52.61 -52.46 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.04 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.1 mt -41.54 -42.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 70' ' ' LEU . 82.9 mt -40.95 -53.37 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -44.23 -61.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -45.37 82.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.38 -68.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 16' ' ' PHE . 58.6 t -47.09 -26.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -68.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.68 -33.37 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.1 tp -50.84 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CE2' HG11 ' A' ' 12' ' ' VAL . 25.5 m-85 -44.98 -53.0 8.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.438 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 2.8 m120 -51.73 -67.14 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -55.38 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.43 -53.57 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.48 -61.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.44 -43.12 27.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -42.19 80.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.32 -56.18 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.59 -14.92 63.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 71.41 1.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -129.03 160.42 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -96.51 5.8 50.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -131.11 -178.29 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.96 158.81 15.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 t -139.55 120.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -43.51 117.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 17' ' ' ASN . 64.0 t -65.57 112.63 9.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 63.38 6.05 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -41.66 -38.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.21 69.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 mt -53.24 -46.28 69.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 88.4 m-85 -70.63 -18.69 62.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.97 -45.19 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -83.4 -37.53 23.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CE2' ' HE2' ' A' ' 85' ' ' MET . 43.0 m-85 -126.4 73.23 73.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -32.69 5.19 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.18 -36.23 83.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.17 -45.29 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.512 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 23.2 m-85 -116.53 124.5 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.588 ' CE2' HG13 ' A' ' 79' ' ' ILE . 37.2 p90 -161.0 151.91 18.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.563 HG22 ' CE1' ' A' ' 55' ' ' PHE . 22.0 t -99.58 147.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.41 -174.25 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.87 27.32 66.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 10.2 mt -80.38 154.87 74.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.95 141.18 26.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 35.54 -146.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.55 33.07 3.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 50' ' ' PRO . 79.2 t -70.35 113.28 16.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.98 122.28 7.11 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 46' ' ' VAL . 8.9 t80 -49.54 91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -126.34 -175.31 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -74.42 150.93 87.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -20.24 17.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.2 p -85.4 57.47 4.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -172.81 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.7 m-85 -54.66 -178.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.49 -177.1 35.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.2 mt -66.97 -45.12 53.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -30.79 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.52 -53.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.62 -38.94 75.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.233 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -48.09 -48.77 33.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.97 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -55.88 -56.65 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -40.13 -35.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -110.38 51.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.6 -6.52 59.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.72 -35.71 5.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -70.03 -37.18 75.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.8 mt -54.59 148.0 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -150.69 143.28 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -107.27 127.93 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.588 HG13 ' CE2' ' A' ' 45' ' ' TYR . 2.6 mm -100.92 137.34 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -137.43 111.49 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -101.18 -9.38 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -144.48 77.09 14.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.49 20.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.08 -22.88 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.572 ' HE2' ' CE2' ' A' ' 40' ' ' PHE . 1.4 mmm -95.94 -1.38 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.73 -31.37 17.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 88' ' ' THR . 17.5 pt-20 -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 1.7 m -42.99 -36.44 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 -47.24 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.5 mt -53.58 -32.3 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 70' ' ' LEU . 67.8 mt -40.78 -64.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.53 -61.73 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.72 -54.01 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -46.34 -58.46 3.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 16' ' ' PHE . 41.6 t -56.98 -49.45 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -42.9 -50.39 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -49.03 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.0 tp -40.99 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 12' ' ' VAL . 20.5 m-85 -43.31 -56.93 3.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.33 -51.09 57.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -50.3 -52.64 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 16.9 mmtt -55.17 -44.63 75.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 12.0 t -41.65 -69.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.245 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.45 40.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -40.52 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.32 -57.32 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.27 -14.65 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.23 70.71 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.25 166.82 16.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -98.68 12.26 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -138.28 177.87 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.93 167.06 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 40.4 t -149.53 123.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -42.4 124.94 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.97 113.03 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' PRO . 56.5 m-85 -34.27 -35.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.62 -57.43 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 15.5 mt -47.78 -36.44 11.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -80.87 -25.68 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -73.48 -47.27 42.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 14.3 m -82.95 -41.8 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -122.84 74.8 47.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.64 -38.96 7.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -77.7 -47.7 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -116.24 119.34 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CE2' HG13 ' A' ' 79' ' ' ILE . 50.3 p90 -156.73 151.6 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 55' ' ' PHE . 69.3 t -102.33 138.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.416 ' N ' HG11 ' A' ' 46' ' ' VAL . 3.2 mt-10 -119.91 176.06 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.62 -29.1 6.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.0 mt -39.91 150.6 0.25 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.39 13.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -42.7 130.35 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.05 -19.41 52.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.9 t -102.29 110.0 61.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 46' ' ' VAL . 37.4 t80 -98.5 37.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -71.38 -178.88 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -71.69 151.41 93.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.65 4.38 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -74.28 57.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -171.16 -44.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -50.9 177.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.12 -176.98 40.71 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.2 mt -69.27 -45.18 28.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -38.07 39.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.73 -49.63 75.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -46.0 -40.09 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.0 mt -73.87 -55.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -45.43 -49.89 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -38.81 -43.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -108.94 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.1 -11.92 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.29 -30.03 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -76.58 -34.5 58.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 mt -51.72 145.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 145.58 26.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CE1' HG12 ' A' ' 46' ' ' VAL . 3.3 m-85 -107.97 124.29 49.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 45' ' ' TYR . 3.8 mm -93.61 132.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.3 mm -131.76 111.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -95.52 -28.82 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.22 82.13 66.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.33 -16.07 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.6 mtp -93.57 -8.95 39.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -86.12 -28.05 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -52.05 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 m -48.76 -40.13 27.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -67.25 -54.9 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -39.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.1 mt -40.22 -54.51 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -57.03 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.74 -47.78 79.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -52.02 -63.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 53.4 t -54.01 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -52.33 -53.34 45.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -63.81 -44.03 94.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.6 tp -41.42 -65.97 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CE2' HG11 ' A' ' 12' ' ' VAL . 22.4 m-85 -51.68 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -40.82 -54.84 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -59.42 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -48.01 -39.07 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -43.47 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.311 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.89 36.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -39.35 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.35 -57.78 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 90' ' ' ILE . 1.6 mp -72.48 -13.88 61.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 65.31 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.0 mt -120.37 162.88 18.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -95.94 6.81 47.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -130.18 -175.21 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.48 168.37 10.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' LYS . 38.2 t -151.88 124.78 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 143.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.2 t -95.0 111.38 54.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.03 62.3 5.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -38.95 -44.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -48.23 -54.93 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.608 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 6.8 mp -48.55 -49.12 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.2 -14.31 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' ALA . 1.1 mm-40 -95.96 -55.93 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -72.27 -30.95 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 21.0 m-85 -128.97 67.79 78.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.2 17.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -165.43 -45.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.608 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 25.3 m-85 -111.72 108.06 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.622 ' CZ ' ' CG2' ' A' ' 79' ' ' ILE . 6.6 p90 -145.58 162.64 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.9 t -115.37 126.88 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.4 mm-40 -107.32 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.07 -27.68 8.06 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 18.8 mt -39.95 154.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -47.83 123.33 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.6 5.81 53.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.61 95.83 37.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.97 6.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.469 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 15.1 t80 -38.33 108.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 12.2 mmt180 -140.58 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.33 152.47 91.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -47.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 p -69.29 61.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -173.53 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.5 m-85 -57.76 144.16 39.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.92 168.85 9.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.642 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 32.5 mt -57.71 -43.92 99.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 61' ' ' PHE . 5.2 ttp180 -48.6 -42.09 32.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.47 HD23 ' CG2' ' A' ' 12' ' ' VAL . 11.0 mt -55.6 -52.86 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.1 -44.7 87.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -43.14 -45.87 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.447 HG21 ' CD1' ' A' ' 76' ' ' ILE . 3.4 mt -67.07 -52.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.21 -40.86 62.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.29 -20.98 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -130.8 49.94 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -45.13 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.76 -45.29 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -54.43 -48.24 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.447 ' CD1' HG21 ' A' ' 69' ' ' ILE . 28.9 mt -46.35 141.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' GLU . 22.2 tttt -150.74 132.16 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -90.94 135.53 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.622 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 29.1 mm -114.66 132.86 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.565 HD12 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -133.37 110.99 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -100.0 -0.51 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 32.1 mttt -148.67 71.89 10.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.49 16.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.435 1.755 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.06 -22.0 62.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.564 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 1.4 mmm -96.39 -10.92 26.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -84.08 -29.61 26.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.13 -50.37 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 m -50.35 -44.69 54.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -41.84 78.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.454 ' CD1' HD22 ' A' ' 24' ' ' LEU . 62.9 mt -62.1 -29.27 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -39.82 -49.66 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' LEU . 4.4 mttt -39.43 -59.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -50.24 70.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -71.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.573 HG12 ' CE2' ' A' ' 16' ' ' PHE . 59.3 t -42.48 -40.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.91 -54.56 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -63.92 -43.36 96.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.8 tp -41.59 -66.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.0 m-30 -49.69 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -41.35 -41.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -64.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 6.8 mmtt -44.85 -43.03 8.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -42.59 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -38.39 30.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -49.21 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.8 61.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 2.1 mm? -62.91 -19.72 64.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.45 34.57 7.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.3 mt -101.8 166.4 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 8.49 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.07 -176.1 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.58 162.36 14.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -148.43 126.06 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.37 121.94 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.07 114.54 36.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.484 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.04 63.78 6.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -43.88 -54.39 5.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.603 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 5.8 mp -48.34 -51.51 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.18 -13.04 32.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -98.75 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 38.2 m -68.0 -34.77 77.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 39.8 m-85 -125.58 71.5 66.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.34 13.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 45.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -167.42 -48.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 39.6 m-85 -109.24 133.49 52.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.479 ' CD1' ' HB ' ' A' ' 79' ' ' ILE . 7.9 p90 -177.89 149.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 55' ' ' PHE . 68.1 t -99.25 143.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.1 mm-40 -122.79 141.87 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.81 -23.95 9.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.1 mt -42.83 153.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 151.22 39.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -54.68 139.12 39.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.71 9.43 65.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 69' ' ' ILE . 47.0 t -128.68 96.36 30.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -171.46 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.0 t80 -99.28 34.98 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.01 178.88 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 144.71 87.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.04 20.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -93.28 51.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.93 -46.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -49.94 174.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.2 -178.27 51.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 10.5 mt -69.13 -44.47 27.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -51.42 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -39.46 12.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 17.7 mt -56.6 -57.68 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.77 -43.02 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -50.43 -61.56 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.428 HG13 ' CG1' ' A' ' 53' ' ' VAL . 4.4 mt -40.91 -47.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 72' ' ' ASN . 1.0 OUTLIER -63.61 -54.56 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -40.81 -30.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 70' ' ' LEU . 72.5 m-20 -118.7 56.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -84.5 -48.49 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 73' ' ' LYS . . . -61.96 -43.23 99.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -46.06 91.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.1 mt -48.91 146.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.5 tttp -150.97 136.23 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 5.5 m-85 -92.27 129.76 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.479 ' HB ' ' CD1' ' A' ' 45' ' ' TYR . 17.2 mm -111.87 133.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.575 HD11 ' CZ ' ' A' ' 86' ' ' PHE . 1.7 mt -136.71 116.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.51 -5.34 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 30.3 mttt -142.67 72.47 20.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.39 21.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -24.71 66.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.562 ' HE3' ' CD2' ' A' ' 40' ' ' PHE . 87.5 mtp -87.15 -30.31 21.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.575 ' CZ ' HD11 ' A' ' 80' ' ' ILE . 2.0 m-85 -64.98 -35.58 81.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.0 -54.44 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.2 m -45.64 -48.31 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.31 -58.63 7.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.9 mt -48.15 -44.28 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mttp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.7 mt -40.77 -48.72 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -49.02 -63.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.83 68.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -62.23 -61.88 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -56.31 -32.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.71 -48.54 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -67.93 -38.31 82.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.4 tp -46.46 -68.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 21.4 m-30 -49.1 -60.78 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -42.9 -59.18 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.9 -48.11 5.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -36.35 26.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.86 -45.37 94.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.73 -51.24 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.22 -22.22 66.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 35.72 5.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -104.85 169.68 8.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.65 10.54 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -124.82 -177.82 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.39 153.3 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.441 HG11 ' CG1' ' A' ' 90' ' ' ILE . 38.6 t -141.22 124.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -39.75 157.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 63.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.416 1.745 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -41.45 -44.01 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.33 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.595 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 6.3 mp -50.67 -51.21 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -65.86 -9.78 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -99.39 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 2.0 m -72.93 -26.27 61.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 24.3 m-85 -131.32 68.94 81.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -26.56 10.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -85.97 45.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -167.84 -42.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 38.7 m-85 -115.54 133.4 56.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 79' ' ' ILE . 7.7 p90 -176.18 156.11 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.423 HG23 ' CZ ' ' A' ' 78' ' ' PHE . 54.8 t -107.3 139.38 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.38 169.98 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.01 -16.11 49.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 28.1 mt -40.3 155.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -74.98 143.28 28.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.3 tt0 34.49 -146.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.89 32.58 3.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.24 113.09 15.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.0 122.34 7.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.479 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 62.6 t80 -50.56 90.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' PRO . 1.7 mmm-85 -122.93 -174.25 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -70.88 143.9 89.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.81 21.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.3 t -89.8 50.25 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -167.04 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 7.7 m-85 -51.01 -179.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.6 172.16 27.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 37.2 mt -58.5 -44.01 98.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -47.76 -35.7 10.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.25 -54.22 43.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.43 -42.41 82.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.57 -51.64 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.47 -59.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.1 -57.24 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.64 -41.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -112.01 54.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -77.48 -49.27 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -45.31 79.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -55.26 -48.93 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.7 mt -43.04 150.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -150.19 137.75 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.423 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 5.7 m-85 -101.47 130.82 47.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mp -109.77 136.49 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -138.63 112.8 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -93.56 -27.2 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 23.4 mttp -123.81 75.79 56.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.09 16.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -23.54 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.572 ' HE3' ' CD2' ' A' ' 40' ' ' PHE . 80.5 mtp -88.27 -29.01 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -65.43 -36.03 82.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -49.82 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -48.25 -38.16 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.76 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.441 ' CG1' HG11 ' A' ' 30' ' ' VAL . 3.5 mt -49.34 -41.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 43.0 mt -49.12 -52.75 24.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -36.9 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -70.56 -68.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.442 HG11 ' CE2' ' A' ' 16' ' ' PHE . 57.9 t -48.29 -24.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -65.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -57.31 -32.15 66.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -50.81 -65.13 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CE2' HG11 ' A' ' 12' ' ' VAL . 22.6 m-85 -53.21 -56.44 16.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.062 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -48.06 -37.41 15.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 3.6 mmtt -53.16 -28.19 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . 11.0 t -52.96 -71.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.534 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -50.6 -42.54 44.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.09 -56.23 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.03 -12.94 43.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 48.72 2.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -124.54 165.45 17.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -106.36 17.74 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -120.51 176.11 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.43 160.09 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 21' ' ' GLY . 1.3 p -163.42 124.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' VAL . 4.0 ttmt -38.43 155.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 20' ' ' CYS . 67.5 t -117.88 123.34 29.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.0 66.86 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -41.02 -27.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 33' ' ' PRO . . . -63.22 -52.78 60.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.605 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 4.5 mp -49.81 -43.25 48.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.59 -15.84 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -97.48 -53.41 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -71.77 -31.79 66.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 22.6 m-85 -128.14 69.98 78.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -22.08 15.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.18 40.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -165.99 -44.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.605 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.6 m-85 -114.52 116.16 28.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.57 ' CE2' HG13 ' A' ' 79' ' ' ILE . 44.1 p90 -159.2 150.48 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.436 HG22 ' CE1' ' A' ' 78' ' ' PHE . 54.7 t -108.8 131.11 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.4 mm-40 -104.22 167.14 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.76 -33.86 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 23.1 mt -40.67 152.34 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.29 12.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.3 132.07 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.35 -16.29 56.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 69' ' ' ILE . 48.6 t -107.14 103.86 49.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -174.0 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 57.9 t80 -102.53 43.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -171.7 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 147.32 68.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -85.06 57.99 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.48 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 10.2 m-85 -59.23 -176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.69 168.73 20.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 57.9 mt -57.72 -43.97 99.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.512 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm-85 -49.49 -33.89 15.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.06 -55.77 28.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -40.77 77.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -44.3 -40.12 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.435 HD13 ' CG1' ' A' ' 53' ' ' VAL . 4.5 mt -70.14 -58.2 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.43 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -42.96 -51.76 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -40.07 -38.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -112.37 55.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -25.31 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.97 -37.22 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.25 -45.15 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.9 mt -40.89 146.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' GLU . 28.6 tttt -149.45 130.6 14.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 3.4 m-85 -90.47 138.47 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.57 HG13 ' CE2' ' A' ' 45' ' ' TYR . 13.6 mm -120.61 132.91 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.416 HD12 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -136.99 111.63 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -100.49 -1.06 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 18.6 mttt -148.38 78.1 9.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.72 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -56.75 -26.53 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.9 mmm -90.81 -12.14 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -86.3 -29.49 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.36 -50.54 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -51.03 -41.06 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -70.83 -49.94 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.2 mt -56.34 -37.14 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mttt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 1.4 mm? -48.65 -53.0 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.1 mtmt -38.43 -58.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -57.61 11.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -66.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG13 ' CE2' ' A' ' 16' ' ' PHE . 71.2 t -48.17 -45.19 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.9 mm-40 -52.44 -67.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.22 -42.5 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.8 tp -41.82 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE2' HG13 ' A' ' 12' ' ' VAL . 20.6 m-85 -46.98 -58.89 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -44.96 -49.98 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -56.56 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmmt -51.57 -46.61 63.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . 9.0 t -41.57 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.566 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -52.83 -45.39 61.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -34.35 53.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.427 ' CB ' HG13 ' A' ' 80' ' ' ILE . . . -54.78 -56.32 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 90' ' ' ILE . 2.1 mp -63.96 -12.77 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.67 57.64 1.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.6 mt -132.85 164.68 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.08 12.85 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.45 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 2.1 pm0 -111.01 171.88 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.6 140.18 42.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 21' ' ' GLY . 0.5 OUTLIER -136.31 117.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -38.14 128.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 20' ' ' CYS . 20.8 t -71.31 113.75 21.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.461 ' CG ' HD13 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.03 77.07 3.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -53.25 -19.0 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -17.57 58.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 86' ' ' PHE . 12.5 mt -86.24 -35.06 20.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 39.1 m-85 -78.58 -30.16 46.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 39' ' ' SER . 7.2 pt-20 -66.17 -47.31 74.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.52 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 3.8 m -80.88 -41.28 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.75 73.18 62.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 5.7 mt-10 -47.14 -46.77 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.456 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 28.3 m-20 -71.58 -62.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 35.4 m-85 -93.98 111.34 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.618 ' CZ ' ' CG2' ' A' ' 79' ' ' ILE . 10.6 p90 -154.25 159.82 41.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.608 ' CG2' ' CE1' ' A' ' 55' ' ' PHE . 55.1 t -110.63 141.05 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.1 mt-10 -128.44 135.61 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 126.12 -24.36 5.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 10.6 mt -39.42 154.29 0.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.3 Cg_endo -75.03 160.99 39.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.17 145.63 30.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.2 17.3 23.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.08 90.51 47.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 177.51 8.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.81 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CE1' ' CG2' ' A' ' 46' ' ' VAL . 65.5 t80 -90.66 101.72 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 -175.98 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.76 152.6 95.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -41.42 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -73.71 64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.07 -42.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -53.41 148.91 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 171.76 6.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 38.7 mt -63.17 -44.18 83.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -46.54 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.558 1.82 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 6.2 mt -53.23 -55.08 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -42.83 83.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.76 -47.66 50.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.5 -59.91 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.6 mt -44.95 -55.91 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 6.5 mtp-105 -41.33 -28.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 50' ' ' PRO . 91.5 m-20 -120.11 49.85 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.24 -2.89 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.52 -39.69 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.33 -43.02 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 77' ' ' LYS . 44.2 mt -45.27 140.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' GLU . 12.9 tttp -150.71 128.7 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 4.8 m-85 -91.87 119.82 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.618 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 17.0 mm -94.1 123.54 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.427 HG13 ' CB ' ' A' ' 23' ' ' ALA . 9.4 mm -121.71 111.48 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.35 -30.23 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 8.2 mttt -118.87 80.37 17.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.26 5.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -62.99 -20.15 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.9 mmm -84.18 -24.54 30.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 36' ' ' LEU . 2.8 m-85 -83.43 -22.84 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.11 -47.51 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -58.01 -39.27 77.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.456 ' CD1' HD23 ' A' ' 24' ' ' LEU . 81.7 mt -40.91 -39.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -47.78 -45.49 29.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.0 mttt -38.83 -62.03 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -63.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -44.09 -65.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.557 HG13 ' CE2' ' A' ' 16' ' ' PHE . 94.9 t -50.61 -50.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.6 mm-40 -47.73 -53.9 13.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -63.77 -46.32 85.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.7 tp -40.92 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CE2' HG13 ' A' ' 12' ' ' VAL . 21.4 m-85 -43.81 -55.38 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -52.67 -50.43 63.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -56.71 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 16.9 mmtt -45.89 -45.49 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.3 t -42.09 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.83 -45.87 18.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -43.2 62.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.53 -56.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 82.96 68.84 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -126.86 161.98 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -93.77 -4.86 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.21 -175.61 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.54 161.7 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 44.6 t -144.01 123.69 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 151.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.83 107.03 59.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 65.66 6.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -39.14 -36.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.01 58.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.604 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 5.0 mp -49.77 -46.86 51.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -67.15 -15.59 63.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.3 -56.58 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 67.1 m -71.33 -32.37 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 20.9 m-85 -125.73 72.71 68.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -27.68 9.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.425 1.75 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.83 46.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -169.54 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.604 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 25.0 m-85 -120.22 120.4 36.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 79' ' ' ILE . 39.5 p90 -162.67 152.05 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.443 HG23 ' CZ ' ' A' ' 55' ' ' PHE . 77.8 t -103.52 146.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mm-40 -132.26 140.7 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.91 -27.1 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 8.0 mt -40.36 152.95 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.04 36.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 138.65 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.33 10.73 70.45 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -130.62 94.87 28.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.3 t80 -88.89 36.48 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 2.6 mmm180 -68.75 -177.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 151.98 96.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.5 Cg_endo -74.93 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.029 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -68.82 63.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -173.84 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m-85 -55.58 153.12 8.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.64 177.67 6.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.7 mt -67.76 -44.41 42.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.35 -39.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 13.0 mt -58.2 -58.48 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -51.07 -40.16 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' ILE . 11.1 mtmt -50.52 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' LYS . 6.3 mt -39.04 -56.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -48.22 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -39.02 -38.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -107.59 51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.8 ptpt -88.03 -29.44 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.16 57.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -65.07 -39.0 92.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.1 mt -51.26 143.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.7 ttpp -150.78 136.71 18.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 4.6 m-85 -96.83 125.41 41.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 45' ' ' TYR . 7.0 mm -105.54 134.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.547 HD11 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -134.88 111.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -95.6 -21.78 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 29.8 mttt -128.02 73.76 79.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.07 17.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.31 -11.7 34.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.478 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 1.2 mmm -100.57 -26.29 13.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' A' ' 80' ' ' ILE . 1.7 m-85 -68.75 -36.37 78.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.96 -57.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.4 m -45.68 -40.0 8.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -68.85 -49.54 57.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.9 mt -59.12 -37.13 66.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mttt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -58.16 -44.92 88.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -39.09 -56.42 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -55.98 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.17 -62.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 16' ' ' PHE . 96.6 t -54.96 -44.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -64.94 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -55.78 -46.03 78.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.4 tp -40.91 -69.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CE2' HG11 ' A' ' 12' ' ' VAL . 22.6 m-30 -46.36 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -41.98 -66.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.98 -55.5 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmtt -46.03 -52.08 12.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -43.64 -59.24 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.258 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.571 ' CA ' HG13 ' A' ' 30' ' ' VAL . . . -57.98 -37.91 87.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -32.45 73.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -57.64 -46.36 84.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.457 ' HG ' ' CD1' ' A' ' 90' ' ' ILE . 3.2 mm? -67.21 -21.04 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 20.62 10.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.4 mt -99.04 170.77 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 0.794 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -112.55 18.99 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.17 -179.1 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.16 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG13 ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -165.29 115.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -40.1 135.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 t -80.35 114.19 45.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -74.98 75.45 3.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -52.2 -19.96 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -21.88 56.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.1 mt -81.96 -34.22 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 72.1 m-85 -81.35 -32.04 33.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.5 pt-20 -68.39 -47.09 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -74.0 -42.69 60.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.94 71.42 68.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.6 10.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.63 -15.68 61.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.13 -48.36 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 58.6 m-85 -112.43 131.07 55.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' ILE . 19.2 p90 -169.72 154.33 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 78' ' ' PHE . 57.0 t -104.79 143.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -121.56 173.72 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.03 -23.5 17.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 50.7 mt -39.83 154.07 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.94 25.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -63.2 147.21 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.45 18.94 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.4 t -129.54 91.3 41.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -173.94 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE1' HG21 ' A' ' 46' ' ' VAL . 41.0 t80 -99.35 96.2 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -139.37 178.55 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -50.1 144.57 10.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.407 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -58.28 -17.65 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -47.46 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 69' ' ' ILE . 16.8 m-85 -55.85 167.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -87.76 172.28 42.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.667 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.8 mm -59.17 -42.53 93.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -50.85 -31.47 17.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 12.8 mt -62.83 -57.87 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -42.47 52.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -47.58 -55.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 61' ' ' PHE . 4.3 mt -49.54 -57.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' ASN . 10.4 mt -42.9 -59.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -38.37 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 68.3 m-20 -121.57 54.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -85.42 -47.11 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.93 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.9 mt -40.94 144.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -150.39 152.52 34.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 4.7 m-85 -113.22 130.18 56.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.571 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 1.3 mp -105.73 118.21 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.5 mm -115.65 112.15 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -90.22 -39.14 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -119.43 83.02 25.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.14 4.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.37 -27.47 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 mmm -82.93 -13.75 55.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -93.97 -20.12 20.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -47.65 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -54.31 -28.03 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -80.85 -50.04 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.457 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 2.8 mp -56.83 -37.15 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.42 101.93 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -160.33 -65.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.41 -146.89 17.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 p -57.95 -177.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.47 -64.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.29 -55.27 16.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.6 mt -41.39 -56.52 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -53.29 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -47.65 83.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -52.3 -59.92 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG11 ' CE2' ' A' ' 16' ' ' PHE . 46.7 t -54.98 -31.0 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -65.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -52.83 -40.87 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.7 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CE2' HG11 ' A' ' 12' ' ' VAL . 23.0 m-85 -53.44 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 31' ' ' LYS . 4.6 m120 -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -62.76 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.9 mmtt -41.08 -47.27 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -48.65 -67.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 108.302 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.53 -46.78 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -31.64 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -60.6 -43.61 97.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.558 HD22 ' CD2' ' A' ' 86' ' ' PHE . 3.0 mm? -75.98 -15.68 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.92 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.11 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.88 169.82 9.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -112.13 12.95 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -127.72 -177.4 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.36 148.47 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 31' ' ' LYS . 20.9 t -139.26 121.6 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HA ' ' ND2' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -39.74 122.42 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.437 HG11 ' CD2' ' A' ' 34' ' ' PHE . 55.7 t -64.19 112.17 7.04 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.437 ' CD2' HG11 ' A' ' 32' ' ' VAL . 47.0 m-85 -38.0 -38.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.6 -48.95 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' PRO . 18.3 mt -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 87.5 m-85 -81.04 -22.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.07 -37.32 22.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -85.59 -40.41 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -123.57 74.1 53.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.3 15.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.0 41.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -164.0 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.5 m-85 -115.82 134.26 55.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.555 ' CE1' ' HB ' ' A' ' 79' ' ' ILE . 20.3 p90 -173.75 150.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.563 HG23 ' CZ ' ' A' ' 78' ' ' PHE . 62.9 t -99.29 137.34 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 170.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.98 -24.08 20.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 31.4 mt -42.61 151.41 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 167.53 26.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.05 147.84 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.12 24.29 9.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.9 t -130.57 91.76 36.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.506 ' CE1' HG23 ' A' ' 46' ' ' VAL . 35.2 t80 -89.59 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -80.63 -178.19 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 144.48 90.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.75 21.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.458 1.767 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.5 p -89.12 48.97 1.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.05 -43.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.8 177.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -95.95 -177.23 36.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.9 mt -67.23 -45.48 50.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.447 1.762 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -33.69 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.32 -50.83 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.42 -38.13 88.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -49.51 -38.57 30.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mt -69.89 -62.81 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.27 -49.55 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -39.91 -40.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -112.45 53.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -83.62 -8.57 59.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.89 -26.32 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -80.41 -35.76 34.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 26.2 mt -54.65 143.38 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.64 150.13 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 7.2 m-85 -110.74 124.53 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.555 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 1.1 mp -102.92 119.05 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mm -116.36 111.68 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.24 -36.14 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.67 81.47 40.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.31 12.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.93 -18.62 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -92.7 -8.57 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.566 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -86.4 -34.54 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.02 -43.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.5 m -52.47 -46.09 66.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -64.01 -53.55 48.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mt -56.24 -32.71 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -76.5 -46.95 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.87 -53.5 57.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.63 141.86 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.3 m -110.87 -52.69 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 53.5 -164.89 2.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 57.99 4.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.1 t -179.7 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.43 94.42 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.23 95.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.91 141.99 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.4 -105.34 0.59 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 61.23 150.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -166.66 177.35 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.17 -68.26 2.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -55.96 -50.75 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.2 mttt -38.91 -61.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -54.71 41.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -50.98 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG11 ' CE2' ' A' ' 16' ' ' PHE . 86.3 t -43.53 -46.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.47 -47.94 63.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -67.93 -41.98 81.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.5 tp -45.97 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.568 ' CE2' HG11 ' A' ' 12' ' ' VAL . 22.3 m-85 -48.19 -64.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.46 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 7.6 m120 -40.66 -64.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -61.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 8.1 mmmt -43.86 -40.97 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.501 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 3.7 t -43.87 -70.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.326 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.12 -45.52 81.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -40.48 14.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.7 -57.74 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.71 -14.47 62.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.51 69.92 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -126.77 164.01 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.66 -9.63 37.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -112.58 -175.06 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' C ' ' CG2' ' A' ' 30' ' ' VAL . . . -100.96 170.71 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 9.3 t -150.63 119.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -40.19 121.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.54 112.81 9.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.249 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . 70.2 m-85 -35.74 -35.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -54.95 -53.91 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 33' ' ' PRO . 22.9 mt -51.41 -38.69 54.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 76.9 m-85 -79.36 -24.69 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' PHE . 5.1 mm-40 -79.41 -28.7 41.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -97.08 -39.0 9.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.558 ' CE2' ' HE2' ' A' ' 85' ' ' MET . 22.9 m-85 -128.76 71.33 81.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.85 9.66 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.05 -22.7 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.48 -37.16 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 43.3 m-85 -120.32 119.97 34.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.556 ' CE1' HG13 ' A' ' 79' ' ' ILE . 50.0 p90 -161.2 154.41 21.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG22 ' CE1' ' A' ' 55' ' ' PHE . 15.1 t -103.06 146.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -129.13 142.35 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.34 -20.31 9.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -48.91 151.28 2.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.82 141.05 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.15 10.61 59.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.7 t -127.98 95.4 34.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.54 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.481 ' CE1' HG22 ' A' ' 46' ' ' VAL . 46.7 t80 -96.36 39.12 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -76.91 -178.82 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -62.14 150.5 83.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 p -72.51 58.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.43 -47.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -53.52 176.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.25 -177.31 51.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -68.53 -44.92 35.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -36.07 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 7.4 mt -60.11 -57.38 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.18 -45.73 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -44.37 -50.36 9.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.5 mt -54.07 -60.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 8' ' ' LEU . 5.2 mt -43.85 -58.22 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -39.15 -33.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -116.47 54.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.2 pttt -88.89 -13.67 38.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.62 -31.77 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -29.41 63.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 37.9 mt -61.47 147.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.5 tttt -150.68 148.44 28.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.525 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 2.8 m-85 -103.4 127.27 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.556 HG13 ' CE1' ' A' ' 45' ' ' TYR . 8.2 mm -106.73 132.74 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.412 HD12 ' CZ ' ' A' ' 86' ' ' PHE . 1.5 mt -138.51 111.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.5 -12.49 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.8 mttt -139.35 80.88 21.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -10.17 21.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.04 -19.4 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.558 ' HE2' ' CE2' ' A' ' 40' ' ' PHE . 92.8 mtp -93.06 -7.05 46.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CZ ' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -89.16 -34.11 16.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -48.76 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -48.83 -49.17 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.78 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mt -51.95 -32.03 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -86.48 -42.5 13.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -92.42 41.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.5 p -81.66 111.21 17.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 p -106.49 145.14 32.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.55 120.89 3.5 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 146.83 33.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.434 1.755 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.19 162.44 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m 50.38 80.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.18 80.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.94 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 m -96.65 157.93 15.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.28 -156.69 6.95 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -63.61 -53.21 55.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.031 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.63 -65.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -42.49 -72.12 0.32 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.065 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 12' ' ' VAL . 1.1 mm? -53.47 -49.66 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 48.4 mttt -38.32 -59.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.1 79.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.565 HG12 ' CE2' ' A' ' 16' ' ' PHE . 22.8 t -43.97 -37.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 7.3 mm-40 -58.89 -60.33 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.69 -36.07 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.6 tp -47.86 -70.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.5 m-85 -45.83 -63.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -39.99 -63.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -54.55 9.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 12.3 mmtt -50.07 -54.83 17.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.7 t -42.14 -66.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' CA ' HG21 ' A' ' 30' ' ' VAL . . . -44.79 -42.99 7.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -35.39 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.16 87.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.69 -14.45 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.6 28.41 12.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 58.9 mt -96.51 167.84 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 9.39 30.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -126.43 -178.09 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.5 156.71 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.417 HG21 ' CA ' ' A' ' 21' ' ' GLY . 30.7 t -149.71 124.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 2.1 ttpt -40.91 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.0 t -107.89 107.07 59.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.501 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.04 66.35 6.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -41.29 -27.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -66.46 -53.04 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -27.85 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -85.2 -26.73 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 39' ' ' SER . 2.7 pt-20 -84.04 -46.2 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 44.3 m -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.472 ' CE2' ' HE2' ' A' ' 85' ' ' MET . 33.0 m-85 -133.44 70.88 76.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 2.4 tt0 -86.97 44.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -172.17 -43.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 56.7 m-85 -110.77 125.68 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.581 ' CE1' ' HB ' ' A' ' 79' ' ' ILE . 10.9 p90 -170.87 155.29 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 78.3 t -104.13 145.46 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -127.43 169.51 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.61 -26.92 15.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.403 HD23 ' CD1' ' A' ' 76' ' ' ILE . 31.7 mt -40.9 151.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.4 Cg_endo -75.07 127.88 10.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.51 131.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.79 -8.93 78.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.7 t -115.13 107.35 49.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -167.67 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 37.3 t80 -107.7 37.04 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 177.45 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -57.46 147.99 56.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.96 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -56.81 -18.02 11.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.16 -33.66 38.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CD2' ' CD1' ' A' ' 69' ' ' ILE . 16.9 m-85 -69.52 169.23 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' O ' ' CD1' ' A' ' 66' ' ' LEU . . . -90.41 -174.43 44.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.9 mt -64.79 -45.7 75.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -57.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 1.3 ttm-85 -46.54 -33.14 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.443 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 10.4 mt -64.63 -57.45 9.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -46.86 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -42.93 -51.99 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.496 ' CD1' ' CD2' ' A' ' 61' ' ' PHE . 3.7 mt -52.07 -60.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 72' ' ' ASN . 7.4 mt -42.95 -56.47 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -38.54 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.445 ' O ' ' CD1' ' A' ' 76' ' ' ILE . 90.6 m-20 -119.4 57.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 74' ' ' ALA . 41.3 pttt -87.83 -49.82 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' ' 73' ' ' LYS . . . -67.89 -37.74 82.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -64.51 -50.29 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 72' ' ' ASN . 8.6 mt -40.91 145.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -149.32 143.62 25.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 5.2 m-85 -106.03 128.34 53.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.581 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mp -106.12 121.31 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.6 mm -122.21 111.49 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -90.7 -35.68 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 2.7 mmtt -117.63 80.57 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.762 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.27 -12.55 57.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.472 ' HE2' ' CE2' ' A' ' 40' ' ' PHE . 14.1 mmm -90.01 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.501 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.8 m-85 -82.26 -28.36 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.44 -40.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.2 m -59.82 -44.39 94.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -71.2 -38.93 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.2 mt -59.22 -22.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -91.62 -60.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -41.41 -53.99 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -47.37 134.61 11.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.062 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 p -117.97 143.95 45.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.38 99.66 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -48.98 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 t -44.41 123.0 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.2 m 63.68 83.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -165.53 170.47 14.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -66.5 171.01 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 88.56 83.57 1.26 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' HB3' ' CD1' ' A' ' 66' ' ' LEU . 4.0 t -60.96 83.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.945 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' GLY . 79.5 p -64.4 169.43 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.53 -61.98 0.64 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -52.84 -56.1 18.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -44.94 -59.7 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.07 58.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -50.19 -57.35 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.508 HG12 ' CE2' ' A' ' 16' ' ' PHE . 90.7 t -58.77 -43.65 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -49.51 -48.72 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.65 -45.41 83.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.483 HD11 ' CE ' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -41.36 -61.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.508 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.4 m-85 -53.21 -37.9 62.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -65.71 -51.14 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.81 -69.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' CE ' HD11 ' A' ' 15' ' ' LEU . 14.1 mptt -39.39 -48.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.9 t -48.4 -63.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.66 -32.79 32.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.31 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.16 89.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.0 -19.18 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.06 37.43 4.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.7 mt -113.21 169.45 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -111.45 10.91 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -118.81 178.87 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.33 146.02 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -137.86 126.45 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.67 121.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 16' ' ' PHE . 76.5 t -68.39 113.13 13.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -75.01 72.94 4.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -51.08 -22.8 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.8 -28.06 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.3 mt -76.1 -32.6 59.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 84.6 m-85 -83.76 -34.98 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.0 pt-20 -67.74 -47.41 69.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 1.9 m -74.52 -41.86 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -127.08 72.05 76.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -19.42 17.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.15 -22.0 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -95.3 -38.57 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 58.1 m-85 -123.46 135.95 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.57 ' CE2' HG21 ' A' ' 79' ' ' ILE . 25.1 p90 -171.32 156.57 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.55 HG22 ' CZ ' ' A' ' 55' ' ' PHE . 74.8 t -107.65 145.63 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -123.65 175.5 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.99 -25.45 9.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.0 mt -42.68 149.95 0.45 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 159.61 41.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.3 144.36 36.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.85 14.85 46.55 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.14 95.08 37.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.55 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 7.2 t80 -97.85 34.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.91 -178.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -64.71 146.08 98.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.66 21.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.3 m -92.63 50.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.45 -43.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -47.27 158.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.07 164.68 54.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 93.0 mt -56.85 -44.35 99.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.97 -44.79 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -50.77 -40.99 56.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' CD1' ' HB3' ' A' ' 5' ' ' SER . 8.8 mt -52.18 -50.4 61.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.1 -35.58 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -53.72 -40.32 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mt -66.82 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -41.49 -49.98 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -39.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -112.82 54.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.9 pttt -91.32 0.3 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.89 -18.46 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -94.42 -28.8 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 77' ' ' LYS . 18.9 mt -52.99 147.82 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' N ' HG23 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -149.95 146.94 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.447 ' CD1' HG23 ' A' ' 46' ' ' VAL . 4.2 m-85 -111.41 123.08 49.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.57 HG21 ' CE2' ' A' ' 45' ' ' TYR . 1.2 mp -97.97 123.82 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.5 mm -123.29 111.58 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -89.26 -39.3 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -120.64 86.93 40.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.52 4.47 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.92 -17.87 11.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 94.2 mtp -86.64 -20.24 28.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.6 m-85 -82.24 -33.04 29.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.3 -48.7 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 m -45.57 -53.19 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.39 -58.17 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.2 mt -47.33 -42.59 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -71.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -41.77 -55.22 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.66 107.87 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.8 t -128.75 153.42 47.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 140.63 98.22 0.35 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 64.64 6.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.7 m -139.81 155.64 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -73.34 -60.82 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 p -151.17 148.79 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 0.0 109.978 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -155.12 88.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.2 -110.43 2.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.423 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 11.0 p 46.55 81.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.9 177.51 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.02 -84.19 1.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 1.4 mm? -49.07 -49.65 40.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -38.47 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.39 -56.8 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -56.38 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG11 ' CE2' ' A' ' 16' ' ' PHE . 24.0 t -56.99 -36.89 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.5 -67.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -56.3 -36.07 68.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.3 tp -46.48 -66.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.563 ' CE2' HG11 ' A' ' 12' ' ' VAL . 22.6 m-85 -50.77 -61.59 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -42.45 -61.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.68 -59.99 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 17.8 mmtt -47.49 -54.04 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.25 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.438 ' CA ' HG22 ' A' ' 30' ' ' VAL . . . -46.01 -41.67 11.07 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -34.74 78.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -62.07 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 24' ' ' LEU . 3.3 mm? -76.58 -17.15 59.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.21 41.1 4.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -115.99 170.63 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.24 -12.14 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -98.94 -175.43 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.76 149.65 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.438 HG22 ' CA ' ' A' ' 21' ' ' GLY . 51.0 t -136.86 125.86 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -40.24 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.7 t -105.36 107.27 58.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 64.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -39.14 -29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -66.18 -57.78 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 mt -46.92 -27.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' CA ' ' A' ' 41' ' ' PRO . 42.9 m-85 -84.37 -40.29 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 39' ' ' SER . 6.2 pt-20 -70.14 -47.37 61.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.518 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 5.8 m -70.72 -40.78 72.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.1 69.75 81.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.432 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.01 -25.44 11.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -1.2 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.43 -40.29 2.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -125.1 118.46 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.553 ' CE2' HG21 ' A' ' 79' ' ' ILE . 29.5 p90 -152.57 154.8 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.562 HG13 ' CD1' ' A' ' 78' ' ' PHE . 56.0 t -105.17 146.58 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' N ' HG12 ' A' ' 46' ' ' VAL . 1.4 mm-40 -126.11 174.0 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -26.15 9.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.1 mt -40.78 150.04 0.31 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.59 24.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -52.01 126.18 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.57 70.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.0 t -122.79 101.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.468 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 15.1 t80 -85.88 56.8 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -179.9 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.4 146.31 91.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 p -82.23 52.46 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.5 -43.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.421 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 15.5 m-85 -52.62 175.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.48 -179.19 43.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 14.0 mt -67.42 -44.8 47.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.03 -52.73 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm180 -49.01 -34.79 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 7.6 mt -60.34 -56.65 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.64 -36.98 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -39.01 57.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.5 mt -66.42 -56.31 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.1 mt -43.64 -49.94 7.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 mtp180 -38.4 -36.38 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.491 ' O ' ' CD1' ' A' ' 76' ' ' ILE . 79.4 m-20 -113.08 55.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.5 pttt -86.7 -24.39 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.89 -39.79 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.89 -43.41 96.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' A' ' 72' ' ' ASN . 10.4 mt -43.56 139.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -150.4 140.77 22.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CD1' HG13 ' A' ' 46' ' ' VAL . 3.9 m-85 -103.66 138.2 40.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.553 HG21 ' CE2' ' A' ' 45' ' ' TYR . 1.4 mp -110.3 122.59 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.0 mm -121.65 111.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -88.28 -36.55 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -127.34 90.94 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.85 10.57 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mmm -81.5 -11.09 59.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.3 m-85 -93.21 -34.31 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -39.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 m -55.35 -42.75 74.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -73.25 -44.32 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.1 mt -54.3 -28.29 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.43 -60.04 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.15 -52.99 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.63 -61.0 2.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -124.21 99.23 6.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.94 114.0 3.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 134.44 17.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.95 111.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -100.89 99.18 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -86.22 117.19 24.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.757 . . . . 0.0 110.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -74.77 120.46 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.73 -179.3 23.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 p -87.31 74.18 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.991 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -148.68 -60.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.9 -57.23 2.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.5 mt -48.69 -50.47 33.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 20.4 mttt -53.23 -58.7 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -42.22 61.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.2 t -61.64 -28.99 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 10.3 mm-40 -62.15 -57.14 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.5 tp -51.68 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.411 ' CE2' HG11 ' A' ' 12' ' ' VAL . 21.2 m-85 -45.01 -60.14 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -42.51 -66.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -62.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.5 mmtt -40.79 -51.06 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -42.55 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.18 -40.55 7.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -34.82 79.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -60.46 -43.27 97.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 86' ' ' PHE . 1.9 mm? -73.16 -13.12 61.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 37.4 6.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 mt -111.8 169.02 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -108.63 13.33 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -122.5 -179.41 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.74 156.18 17.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' LYS . 23.6 t -150.82 123.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.94 152.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -104.13 111.03 65.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.43 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.99 64.74 6.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -39.74 -34.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -57.57 -54.8 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.642 ' CD2' ' CE2' ' A' ' 44' ' ' PHE . 3.8 mp -46.66 -44.33 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -68.12 -24.71 65.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' ALA . 8.4 mm-40 -87.19 -57.91 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -68.78 -36.68 78.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 m-85 -126.07 71.02 68.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -25.96 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.72 44.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.76 -45.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.642 ' CE2' ' CD2' ' A' ' 36' ' ' LEU . 41.5 m-85 -115.71 115.79 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.581 ' CZ ' ' CG2' ' A' ' 79' ' ' ILE . 49.7 p90 -158.29 150.67 22.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.542 HG22 ' CE1' ' A' ' 78' ' ' PHE . 40.7 t -105.4 130.48 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.19 171.05 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.24 -31.28 7.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.5 mt -40.53 150.81 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 161.5 38.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 143.91 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.63 15.28 53.44 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.99 92.43 39.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.0 t80 -92.42 38.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 mmm-85 -71.52 178.23 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -66.2 147.6 98.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.462 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.05 -39.5 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 m -73.11 58.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.26 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.93 178.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.03 173.64 34.86 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.463 1.102 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 28.5 mt -61.65 -44.33 91.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.93 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -34.23 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.9 mt -60.33 -54.84 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.28 -36.63 75.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.77 -41.01 61.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 mt -70.59 -59.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.82 -47.29 8.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -42.42 -42.97 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -109.16 53.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -86.43 -8.41 57.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.65 -27.71 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -79.63 -35.15 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.459 HG21 ' CG1' ' A' ' 46' ' ' VAL . 33.2 mt -53.12 147.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.07 146.39 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.542 ' CE1' HG22 ' A' ' 46' ' ' VAL . 4.9 m-85 -107.85 119.73 40.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.581 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 4.1 mm -94.42 127.62 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 86' ' ' PHE . 2.4 mm -128.61 111.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -99.02 -17.74 18.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 24.8 mttt -131.19 80.97 67.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.89 10.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.49 -30.56 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.0 mmm -78.35 -21.48 49.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.53 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.6 m-85 -78.77 -28.69 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -44.88 10.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -55.5 -41.28 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.74 66.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.76 -27.23 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -62.61 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -86.63 44.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.7 p -64.92 115.16 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t -96.41 -38.38 10.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.12 -147.49 30.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' SER . 18.3 Cg_endo -74.99 97.61 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.57 -82.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' PRO . 10.8 t -137.24 139.62 41.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -165.45 75.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -75.24 96.44 3.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.28 -80.97 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.87 171.46 13.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -157.77 -46.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.52 -57.5 11.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.1 mt -40.7 -55.34 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLU . 7.7 mttt -44.2 -59.74 2.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -49.45 60.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -57.7 -44.22 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.8 t -68.11 -33.12 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.8 mm-40 -60.07 -51.18 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -44.93 -68.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.417 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 22.8 m-85 -49.88 -61.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' PHE . 5.0 m120 -40.43 -62.75 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.87 -54.03 13.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 7.2 mmtt -48.29 -42.08 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.4 t -61.89 -60.28 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.58 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -55.65 -23.02 34.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.53 -35.26 24.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.63 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.01 -19.73 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 43.73 2.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.28 170.6 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 9.6 mttm -113.12 22.88 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 1.6 pm0 -118.98 171.99 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -95.19 160.78 14.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.58 HG12 ' CA ' ' A' ' 21' ' ' GLY . 0.4 OUTLIER -161.85 119.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.78 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.7 t -99.46 110.73 59.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 76.99 3.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -53.92 -18.63 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.85 60.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.2 mt -80.43 -37.35 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 90.7 m-85 -79.96 -35.37 37.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.8 pt-20 -63.84 -47.22 81.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.502 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 46.5 m -76.62 -39.26 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -127.05 70.74 75.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.01 -23.73 13.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.53 -43.5 80.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.73 -53.08 7.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 36.8 m-85 -103.54 138.25 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.589 ' CZ ' ' CG2' ' A' ' 79' ' ' ILE . 38.7 p90 -178.5 152.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.525 HG22 ' CZ ' ' A' ' 78' ' ' PHE . 50.8 t -105.92 133.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -117.94 163.23 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.55 45.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.6 mt -42.81 150.77 0.42 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 160.97 39.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -58.56 145.23 40.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.26 17.79 32.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -129.83 92.53 36.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.95 4.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 31.6 t80 -93.8 53.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -88.08 178.37 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 147.66 98.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.8 17.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -84.44 49.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -43.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -49.13 164.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.483 ' O ' ' CD1' ' A' ' 66' ' ' LEU . . . -87.57 -174.93 48.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.4 mt -66.3 -45.49 60.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.17 -32.23 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 9.7 mt -63.3 -49.01 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.49 -38.51 81.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -46.31 -40.49 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.4 mt -69.64 -59.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.407 HD21 ' CE ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -43.6 -45.78 6.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -47.11 -37.6 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -117.8 53.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' CE ' HD21 ' A' ' 70' ' ' LEU . 10.3 ptpp? -81.92 -32.3 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.85 36.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.63 -39.11 91.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.2 mt -52.62 151.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.7 tttt -150.72 146.09 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 8.9 m-85 -110.46 118.08 35.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.589 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 3.6 mm -95.12 132.48 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.69 111.52 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -98.52 -20.01 17.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -127.51 77.41 75.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 93.0 mtp -87.77 -10.2 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -91.29 -24.62 19.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 -47.86 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -48.95 -43.11 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -69.69 -62.29 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.6 mt -40.7 -42.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -77.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.59 -67.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 p 40.31 88.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.4 m 64.29 122.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.38 -124.94 0.84 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 97.24 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -133.17 102.62 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.59 123.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.87 84.36 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -176.86 157.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 88.75 -56.2 4.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 t 64.65 -76.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 0.755 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 4' ' ' GLY . 7.5 t 72.46 134.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.49 -73.63 1.64 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 70' ' ' LEU . 96.4 mt -48.75 -48.79 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.4 tttt -45.44 -47.7 13.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.36 -56.98 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -43.56 -50.0 7.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 69.8 t -64.59 -41.43 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 15.7 mt-10 -57.73 -55.1 39.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -40.28 90.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -45.78 -67.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -46.59 -57.28 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -45.02 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.7 7.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.6 mmtt -56.0 -45.7 78.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.415 ' HB3' HG12 ' A' ' 30' ' ' VAL . 11.8 t -46.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.559 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -51.99 -20.13 6.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -36.94 36.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.02 -39.63 78.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.68 -7.68 49.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.42 30.66 21.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.48 170.98 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -112.28 23.87 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -114.0 169.67 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.83 140.58 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.559 ' CG1' ' N ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -146.33 119.17 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 149.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.6 t -98.9 114.84 65.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 76.37 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -50.69 -25.95 4.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.52 75.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.1 mt -70.23 -40.52 74.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 96.6 m-85 -75.02 -15.86 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -91.54 -35.86 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -84.98 -36.09 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -127.9 72.3 78.79 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -17.71 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.28 36.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -161.81 -45.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 40.2 m-85 -112.15 127.68 56.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.432 ' CE1' ' HB ' ' A' ' 79' ' ' ILE . 10.1 p90 -171.9 151.79 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.551 HG22 ' CE2' ' A' ' 55' ' ' PHE . 84.0 t -98.67 149.7 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mt-10 -130.08 164.52 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.7 -26.23 22.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.7 mt -42.65 151.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.77 32.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.564 1.823 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 152.11 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.85 22.28 2.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.9 t -130.8 91.7 36.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.91 9.3 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CE2' HG22 ' A' ' 46' ' ' VAL . 32.9 t80 -90.07 36.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 mmt180 -65.55 174.66 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -62.11 150.51 83.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.2 Cg_endo -75.04 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -69.58 60.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.73 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.491 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 8.9 m-85 -51.81 161.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.84 -178.29 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 27.0 mt -71.64 -45.24 12.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -44.23 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -51.63 -41.43 61.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.74 -49.26 71.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.22 96.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -52.66 -39.76 62.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.3 mt -67.23 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD1' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -46.34 -51.35 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.27 50.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 74' ' ' ALA . 2.3 ptpp? -75.38 -49.38 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 73' ' ' LYS . . . -64.37 -44.05 92.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -55.44 -46.53 76.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.0 mt -46.01 147.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.4 tttt -150.61 135.18 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.505 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 7.9 m-85 -92.6 132.34 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.432 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 14.7 mm -112.51 135.58 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -140.1 112.98 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -97.2 -11.02 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 43.7 mttt -137.43 72.6 50.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -79.12 -19.68 50.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.1 mmm -99.3 -2.76 35.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.88 -34.03 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.61 -53.31 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.2 m -42.1 -50.29 4.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.62 61.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.4 mt -55.83 -18.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -83.99 -52.85 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -7.9 45.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 m -96.67 -52.29 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m 57.46 106.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.74 135.97 22.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 67.9 5.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.99 -64.42 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.5 p -105.55 105.44 15.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.046 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t 68.32 143.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 110.007 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 m 62.06 89.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.67 150.4 24.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' CB ' HG12 ' A' ' 63' ' ' ILE . 2.4 t -96.05 -70.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.96 143.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.69 -79.85 0.32 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 1.2 mm? -54.95 -41.49 71.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.14 -57.01 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLU . 1.6 tt0 -66.94 -64.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' GLN . 1.1 mtpp -38.78 -48.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 16' ' ' PHE . 77.3 t -65.18 -46.95 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' GLN . 3.2 mt-10 -47.98 -52.71 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' LEU . 9.8 m-80 -63.84 -46.79 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.4 tp -40.09 -65.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CE2' HG11 ' A' ' 12' ' ' VAL . 23.1 m-85 -51.44 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -44.01 -60.42 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -59.98 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 17.5 mmtt -41.52 -52.62 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -47.06 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.43 -33.89 8.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -44.62 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.56 88.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.35 39.18 4.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.32 170.81 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.84 12.6 27.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -126.24 -179.34 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.87 157.61 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.1 t -143.6 120.02 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.75 123.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.0 t -69.87 115.52 34.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' PRO . 45.0 m-85 -34.16 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.3 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' PRO . 61.8 mt -48.29 -38.11 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 61.5 m-85 -78.43 -27.83 46.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -72.79 -39.46 66.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -88.9 -35.25 16.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -128.8 73.11 81.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.055 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.13 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.44 -35.66 76.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -82.77 -49.38 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 34.8 m-85 -111.37 129.42 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.582 ' CE2' HG13 ' A' ' 79' ' ' ILE . 17.9 p90 -170.45 154.59 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG23 ' CE2' ' A' ' 55' ' ' PHE . 98.2 t -105.11 127.31 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -107.92 163.62 12.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 -25.58 26.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.3 mt -40.84 152.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.2 Cg_endo -74.97 152.09 40.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.34 140.15 34.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.3 10.91 58.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.1 t -127.96 93.41 39.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -175.96 2.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.543 ' CE2' HG23 ' A' ' 46' ' ' VAL . 11.4 t80 -90.56 36.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -178.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.74 149.7 97.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.96 -47.59 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 m -71.24 60.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.61 -48.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -50.87 162.91 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.15 -179.3 21.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -69.38 -44.61 26.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.0 Cg_endo -75.06 -51.63 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.438 1.757 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.95 -39.77 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 7.1 mt -56.36 -58.63 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.0 -42.93 50.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -47.99 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mt -44.23 -54.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -51.52 -58.15 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -43.05 -27.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.469 ' CB ' ' HD3' ' A' ' 75' ' ' LYS . 75.1 m-20 -116.63 47.79 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pttp -95.98 1.08 52.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.87 -41.35 6.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.469 ' HD3' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -75.61 -37.48 59.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.2 mt -43.65 144.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 16.1 tttt -150.61 153.94 36.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 5.1 m-85 -114.17 128.97 56.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.582 HG13 ' CE2' ' A' ' 45' ' ' TYR . 3.2 mm -101.83 138.38 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -139.16 111.34 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -100.29 -10.71 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -145.79 78.72 11.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.92 20.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.789 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.75 -38.55 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.58 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.66 -36.37 32.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -50.75 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.6 m -46.37 -44.04 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.42 -57.98 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.3 mt -47.83 -41.73 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -65.41 -50.57 64.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.98 66.75 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.2 m -153.29 94.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.58 77.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -116.37 154.22 16.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.77 3.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.9 -55.79 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.1 142.01 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -149.77 84.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.11 -59.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.12 178.58 48.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 p -89.63 86.08 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.27 -167.95 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.0 -68.3 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER -56.5 -50.8 70.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mttt -38.16 -56.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -47.64 84.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.63 -71.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 16' ' ' PHE . 53.1 t -42.77 -41.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.87 -53.72 44.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -64.08 -44.08 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.435 HD11 ' CG ' ' A' ' 19' ' ' LYS . 1.9 tp -41.52 -65.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.1 m-85 -51.14 -63.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -40.69 -60.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -50.91 -62.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.5 mmtt -40.3 -52.37 2.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -43.64 -65.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.298 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' LEU . . . -50.39 -28.05 13.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.18 -40.48 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.15 -46.31 82.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD23 ' CD2' ' A' ' 86' ' ' PHE . 2.8 mm? -71.09 -16.78 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.38 57.8 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' GLY . 28.5 mt -127.29 168.92 14.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.61 13.71 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -126.23 -177.91 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.12 157.48 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' LYS . 17.0 t -148.29 121.77 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -39.89 133.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.4 t -82.18 114.04 48.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 61.12 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -39.21 -41.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.65 -51.78 45.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.592 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 7.0 mp -50.73 -45.38 58.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -72.8 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.8 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -35.27 76.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.536 ' CE2' ' HE2' ' A' ' 85' ' ' MET . 31.9 m-85 -123.63 73.98 53.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -26.91 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.92 47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -169.75 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 37.0 m-85 -120.33 117.56 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.519 ' CZ ' HG22 ' A' ' 79' ' ' ILE . 29.0 p90 -158.14 155.12 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 64.3 t -109.38 133.7 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mt-10 -117.35 138.42 51.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.35 -25.69 5.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.7 mt -43.82 152.71 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.59 38.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.18 139.21 36.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.65 6.1 65.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.45 ' CG1' HG13 ' A' ' 69' ' ' ILE . 35.2 t -126.14 95.06 39.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.06 3.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.3 t80 -90.33 37.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.86 -178.59 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -68.66 149.91 97.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -46.13 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.0 p -69.26 61.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.13 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 14.6 m-85 -55.33 161.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.65 -179.62 8.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 mt -70.79 -44.94 16.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -48.75 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -41.29 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 8.5 mt -55.74 -59.11 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.06 -43.83 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -47.66 -64.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.45 HG13 ' CG1' ' A' ' 53' ' ' VAL . 5.9 mt -39.92 -53.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 8' ' ' LEU . 2.0 mt -55.06 -56.93 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -38.72 -37.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -107.89 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -86.53 -13.21 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.55 -39.92 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -69.04 -35.06 76.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.52 143.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.4 tttp -150.9 135.36 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 10.5 m-85 -95.96 128.35 42.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.519 HG22 ' CZ ' ' A' ' 45' ' ' TYR . 11.8 mm -111.81 131.15 63.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.563 HD11 ' CZ ' ' A' ' 86' ' ' PHE . 1.5 mt -128.01 111.59 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.1 -23.73 19.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 13.6 mttm -128.55 72.96 80.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.52 20.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -71.35 -13.38 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.536 ' HE2' ' CE2' ' A' ' 40' ' ' PHE . 1.6 mmm -96.97 -25.61 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CD2' HD23 ' A' ' 24' ' ' LEU . 1.1 m-85 -66.76 -26.69 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.75 -61.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.2 m -49.32 -32.11 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -76.52 -45.25 31.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.6 mt -56.94 -31.96 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -71.1 -78.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -39.87 -69.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t 62.82 -90.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.56 142.85 50.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 178.44 91.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 149.09 35.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.16 147.49 53.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.04 159.35 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -154.47 127.25 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.973 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.33 89.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.81 130.23 5.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p 46.82 81.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 0.72 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.46 -51.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.1 -57.43 10.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 70' ' ' LEU . 15.9 mt -42.96 -59.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 13' ' ' GLU . 8.2 mttt -42.26 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -51.76 63.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.74 -58.14 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.583 HG12 ' CE2' ' A' ' 16' ' ' PHE . 98.5 t -58.68 -27.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.75 -69.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -52.27 -34.83 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.17 -58.82 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.583 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.3 m-85 -57.03 -48.52 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -52.81 -61.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -59.37 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.64 -44.41 26.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.502 ' SG ' ' CG2' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -43.82 -71.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.66 -43.69 8.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -35.92 68.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' CYS . . . -60.08 -55.53 32.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -70.75 -13.52 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.59 62.33 1.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.5 mt -123.78 164.48 19.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -101.44 9.47 41.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -131.23 -175.56 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.71 164.07 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -151.68 119.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 115.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.502 ' CG2' ' SG ' ' A' ' 20' ' ' CYS . 59.7 t -75.63 116.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 72.38 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -45.29 -23.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.38 -49.82 31.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.0 mt -49.06 -37.04 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 75.3 m-85 -75.73 -31.53 59.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.44 -36.19 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -46.0 10.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -124.08 73.1 56.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.48 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.13 -51.0 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.518 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.0 m-85 -107.78 128.78 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.593 ' CZ ' ' CG2' ' A' ' 79' ' ' ILE . 25.3 p90 -168.53 154.63 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG23 ' CZ ' ' A' ' 55' ' ' PHE . 33.2 t -110.89 137.72 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -114.29 166.47 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.8 -29.97 9.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.4 mt -40.62 152.3 0.24 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 176.33 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -69.09 148.76 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.34 25.21 8.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.9 96.32 23.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 179.84 5.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 10.2 t80 -96.42 38.43 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -77.93 -173.25 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 151.49 70.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -26.04 11.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 59' ' ' SER . 7.7 p -73.33 57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.961 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.53 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.422 ' O ' ' CD1' ' A' ' 66' ' ' LEU . . . -100.13 -177.45 30.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.4 mt -69.4 -45.14 27.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.98 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.19 -31.11 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 62' ' ' GLY . 11.5 mt -65.52 -48.84 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.446 ' HG2' ' CD2' ' A' ' 8' ' ' LEU . 2.2 mm-40 -65.78 -39.87 91.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -45.5 -43.63 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.3 mt -65.98 -59.33 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -40.38 -51.78 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.2 mtm180 -37.75 -41.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -117.06 53.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -79.14 -39.61 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.78 -46.36 37.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -53.93 -47.1 71.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.456 HG22 ' CG1' ' A' ' 46' ' ' VAL . 13.3 mt -42.39 151.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 139.7 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -101.09 134.01 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.593 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 18.6 mm -111.6 125.26 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mm -126.1 111.25 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -99.44 -14.63 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -139.56 77.2 28.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.82 17.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.18 -34.98 25.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 92.6 mtp -74.61 -9.77 58.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -83.87 -24.72 30.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -38.46 -43.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 m -52.61 -52.46 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.04 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.1 mt -41.54 -42.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -69.73 -56.37 7.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.53 -54.68 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -41.83 133.65 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.22 -58.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.95 -150.04 5.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -177.93 114.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 t -179.03 95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.19 76.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.978 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -116.23 97.36 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.83 -50.48 0.13 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 p -69.09 153.73 43.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 p -138.97 -68.42 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.65 -60.78 8.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 70' ' ' LEU . 82.9 mt -40.95 -53.37 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -44.23 -61.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -45.37 82.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.38 -68.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.56 HG11 ' CE2' ' A' ' 16' ' ' PHE . 58.6 t -47.09 -26.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -68.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.68 -33.37 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.1 tp -50.84 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.56 ' CE2' HG11 ' A' ' 12' ' ' VAL . 25.5 m-85 -44.98 -53.0 8.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.438 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 2.8 m120 -51.73 -67.14 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -55.38 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.43 -53.57 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.48 -61.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.44 -43.12 27.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -42.19 80.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.32 -56.18 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.59 -14.92 63.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 71.41 1.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -129.03 160.42 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -96.51 5.8 50.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -131.11 -178.29 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.96 158.81 15.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 t -139.55 120.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -43.51 117.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 17' ' ' ASN . 64.0 t -65.57 112.63 9.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 63.38 6.05 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -41.66 -38.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.21 69.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.9 mt -53.24 -46.28 69.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 88.4 m-85 -70.63 -18.69 62.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.97 -45.19 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -83.4 -37.53 23.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CE2' ' HE2' ' A' ' 85' ' ' MET . 43.0 m-85 -126.4 73.23 73.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -32.69 5.19 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.18 -36.23 83.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.17 -45.29 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.512 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 23.2 m-85 -116.53 124.5 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.588 ' CE2' HG13 ' A' ' 79' ' ' ILE . 37.2 p90 -161.0 151.91 18.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.563 HG22 ' CE1' ' A' ' 55' ' ' PHE . 22.0 t -99.58 147.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.41 -174.25 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.87 27.32 66.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 10.2 mt -80.38 154.87 74.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.95 141.18 26.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 35.54 -146.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.55 33.07 3.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 50' ' ' PRO . 79.2 t -70.35 113.28 16.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.98 122.28 7.11 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.563 ' CE1' HG22 ' A' ' 46' ' ' VAL . 8.9 t80 -49.54 91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -126.34 -175.31 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -74.42 150.93 87.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -20.24 17.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.2 p -85.4 57.47 4.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -172.81 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.7 m-85 -54.66 -178.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -96.49 -177.1 35.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.2 mt -66.97 -45.12 53.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -30.79 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mt -66.52 -53.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.62 -38.94 75.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.233 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -48.09 -48.77 33.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.97 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -55.88 -56.65 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -40.13 -35.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -110.38 51.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.6 -6.52 59.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.72 -35.71 5.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -70.03 -37.18 75.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.8 mt -54.59 148.0 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -150.69 143.28 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -107.27 127.93 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.588 HG13 ' CE2' ' A' ' 45' ' ' TYR . 2.6 mm -100.92 137.34 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -137.43 111.49 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -101.18 -9.38 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -144.48 77.09 14.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.49 20.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.08 -22.88 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.572 ' HE2' ' CE2' ' A' ' 40' ' ' PHE . 1.4 mmm -95.94 -1.38 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.73 -31.37 17.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 88' ' ' THR . 17.5 pt-20 -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 1.7 m -42.99 -36.44 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 -47.24 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.5 mt -53.58 -32.3 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -79.4 -41.87 26.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -91.2 37.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.3 -59.11 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.2 t -96.45 89.72 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.05 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.87 107.32 0.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.1 t 62.52 113.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t 72.25 137.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.3 p -106.95 115.91 31.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.955 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.7 143.8 32.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.39 61.2 0.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.156 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.447 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 20.6 t 40.37 80.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.007 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -76.5 -177.95 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.59 -77.63 0.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 70' ' ' LEU . 67.8 mt -40.78 -64.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.53 -61.73 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.72 -54.01 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -46.34 -58.46 3.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 16' ' ' PHE . 41.6 t -56.98 -49.45 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -42.9 -50.39 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -49.03 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.0 tp -40.99 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.573 ' CE2' HG13 ' A' ' 12' ' ' VAL . 20.5 m-85 -43.31 -56.93 3.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.33 -51.09 57.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -50.3 -52.64 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 16.9 mmtt -55.17 -44.63 75.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 12.0 t -41.65 -69.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.245 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.45 40.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -40.52 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.32 -57.32 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.27 -14.65 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.23 70.71 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.25 166.82 16.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -98.68 12.26 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -138.28 177.87 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.93 167.06 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 40.4 t -149.53 123.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -42.4 124.94 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.2 t -66.97 113.03 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' PRO . 56.5 m-85 -34.27 -35.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.62 -57.43 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 15.5 mt -47.78 -36.44 11.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -80.87 -25.68 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -73.48 -47.27 42.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 14.3 m -82.95 -41.8 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -122.84 74.8 47.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.64 -38.96 7.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -77.7 -47.7 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -116.24 119.34 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.584 ' CE2' HG13 ' A' ' 79' ' ' ILE . 50.3 p90 -156.73 151.6 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG23 ' CE1' ' A' ' 55' ' ' PHE . 69.3 t -102.33 138.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.416 ' N ' HG11 ' A' ' 46' ' ' VAL . 3.2 mt-10 -119.91 176.06 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.62 -29.1 6.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.0 mt -39.91 150.6 0.25 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.39 13.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -42.7 130.35 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.05 -19.41 52.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.9 t -102.29 110.0 61.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE1' HG23 ' A' ' 46' ' ' VAL . 37.4 t80 -98.5 37.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -71.38 -178.88 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -71.69 151.41 93.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.65 4.38 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -74.28 57.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -171.16 -44.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -50.9 177.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -93.12 -176.98 40.71 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.2 mt -69.27 -45.18 28.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -38.07 39.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.73 -49.63 75.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -46.0 -40.09 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.0 mt -73.87 -55.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -45.43 -49.89 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -38.81 -43.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -108.94 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.1 -11.92 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.29 -30.03 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -76.58 -34.5 58.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 mt -51.72 145.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 145.58 26.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.561 ' CE1' HG12 ' A' ' 46' ' ' VAL . 3.3 m-85 -107.97 124.29 49.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.584 HG13 ' CE2' ' A' ' 45' ' ' TYR . 3.8 mm -93.61 132.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.3 mm -131.76 111.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -95.52 -28.82 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.22 82.13 66.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.33 -16.07 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.6 mtp -93.57 -8.95 39.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -86.12 -28.05 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -52.05 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 m -48.76 -40.13 27.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -67.25 -54.9 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -39.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.68 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -69.72 -70.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.4 t 57.15 109.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.0 92.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.29 121.35 0.33 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 95.91 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 t 63.38 132.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.7 t -149.56 85.09 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -120.54 139.66 52.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -93.74 -65.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.02 -77.64 0.23 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.476 ' OG ' ' CD1' ' A' ' 63' ' ' ILE . 1.6 m -73.23 84.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -132.56 -176.86 4.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.01 -71.11 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.1 mt -40.22 -54.51 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -57.03 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.74 -47.78 79.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -52.02 -63.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 53.4 t -54.01 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -52.33 -53.34 45.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -63.81 -44.03 94.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.6 tp -41.42 -65.97 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.426 ' CE2' HG11 ' A' ' 12' ' ' VAL . 22.4 m-85 -51.68 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -40.82 -54.84 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -59.42 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -48.01 -39.07 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -43.47 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.311 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.89 36.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -39.35 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.35 -57.78 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 90' ' ' ILE . 1.6 mp -72.48 -13.88 61.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 65.31 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.0 mt -120.37 162.88 18.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -95.94 6.81 47.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -130.18 -175.21 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -96.48 168.37 10.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' LYS . 38.2 t -151.88 124.78 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 143.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.2 t -95.0 111.38 54.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.03 62.3 5.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -38.95 -44.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -48.23 -54.93 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.608 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 6.8 mp -48.55 -49.12 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.2 -14.31 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' ALA . 1.1 mm-40 -95.96 -55.93 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -72.27 -30.95 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 21.0 m-85 -128.97 67.79 78.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.2 17.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -165.43 -45.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.608 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 25.3 m-85 -111.72 108.06 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.622 ' CZ ' ' CG2' ' A' ' 79' ' ' ILE . 6.6 p90 -145.58 162.64 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.9 t -115.37 126.88 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.4 mm-40 -107.32 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.07 -27.68 8.06 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 18.8 mt -39.95 154.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -47.83 123.33 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.6 5.81 53.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.61 95.83 37.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.97 6.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.469 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 15.1 t80 -38.33 108.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 12.2 mmt180 -140.58 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.33 152.47 91.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -47.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 p -69.29 61.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -173.53 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.5 m-85 -57.76 144.16 39.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.92 168.85 9.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.642 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 32.5 mt -57.71 -43.92 99.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 61' ' ' PHE . 5.2 ttp180 -48.6 -42.09 32.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.47 HD23 ' CG2' ' A' ' 12' ' ' VAL . 11.0 mt -55.6 -52.86 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.1 -44.7 87.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -43.14 -45.87 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.447 HG21 ' CD1' ' A' ' 76' ' ' ILE . 3.4 mt -67.07 -52.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.21 -40.86 62.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.29 -20.98 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -130.8 49.94 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -45.13 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.76 -45.29 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -54.43 -48.24 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.447 ' CD1' HG21 ' A' ' 69' ' ' ILE . 28.9 mt -46.35 141.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' GLU . 22.2 tttt -150.74 132.16 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -90.94 135.53 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.622 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 29.1 mm -114.66 132.86 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.565 HD12 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -133.37 110.99 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -100.0 -0.51 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 32.1 mttt -148.67 71.89 10.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.49 16.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.435 1.755 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.06 -22.0 62.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.564 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 1.4 mmm -96.39 -10.92 26.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -84.08 -29.61 26.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.13 -50.37 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 m -50.35 -44.69 54.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -41.84 78.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.454 ' CD1' HD22 ' A' ' 24' ' ' LEU . 62.9 mt -62.1 -29.27 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -50.25 29.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.66 -72.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 48.94 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t 57.84 164.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.09 178.41 28.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 63.76 6.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 t 67.25 93.49 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 t -64.12 -59.39 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.065 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -39.48 -56.17 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 t 63.7 132.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.049 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.44 -154.46 20.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -89.65 81.05 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 -178.77 5.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 82.72 -87.99 1.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.43 1.081 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -39.82 -49.66 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' LEU . 4.4 mttt -39.43 -59.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -50.24 70.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -71.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.573 HG12 ' CE2' ' A' ' 16' ' ' PHE . 59.3 t -42.48 -40.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.91 -54.56 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -63.92 -43.36 96.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.42 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.8 tp -41.59 -66.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.573 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.0 m-30 -49.69 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -41.35 -41.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -64.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 6.8 mmtt -44.85 -43.03 8.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 54.0 t -42.59 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -38.39 30.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -49.21 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.8 61.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 2.1 mm? -62.91 -19.72 64.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.45 34.57 7.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.3 mt -101.8 166.4 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 8.49 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.07 -176.1 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.58 162.36 14.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.7 t -148.43 126.06 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.37 121.94 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.4 t -75.07 114.54 36.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.484 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -75.04 63.78 6.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -43.88 -54.39 5.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.603 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 5.8 mp -48.34 -51.51 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.18 -13.04 32.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -98.75 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 38.2 m -68.0 -34.77 77.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.562 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 39.8 m-85 -125.58 71.5 66.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.34 13.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 45.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -167.42 -48.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 39.6 m-85 -109.24 133.49 52.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.479 ' CD1' ' HB ' ' A' ' 79' ' ' ILE . 7.9 p90 -177.89 149.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG21 ' CE2' ' A' ' 55' ' ' PHE . 68.1 t -99.25 143.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.1 mm-40 -122.79 141.87 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.81 -23.95 9.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.1 mt -42.83 153.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 151.22 39.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -54.68 139.12 39.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.71 9.43 65.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 69' ' ' ILE . 47.0 t -128.68 96.36 30.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -171.46 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.0 t80 -99.28 34.98 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.01 178.88 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 144.71 87.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -16.04 20.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -93.28 51.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.93 -46.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -49.94 174.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.2 -178.27 51.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 10.5 mt -69.13 -44.47 27.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -51.42 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -39.46 12.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 17.7 mt -56.6 -57.68 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.77 -43.02 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -50.43 -61.56 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.428 HG13 ' CG1' ' A' ' 53' ' ' VAL . 4.4 mt -40.91 -47.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.405 ' C ' ' N ' ' A' ' 72' ' ' ASN . 1.0 OUTLIER -63.61 -54.56 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -40.81 -30.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 70' ' ' LEU . 72.5 m-20 -118.7 56.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -84.5 -48.49 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 73' ' ' LYS . . . -61.96 -43.23 99.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -46.06 91.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.1 mt -48.91 146.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.5 tttp -150.97 136.23 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 5.5 m-85 -92.27 129.76 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.479 ' HB ' ' CD1' ' A' ' 45' ' ' TYR . 17.2 mm -111.87 133.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.575 HD11 ' CZ ' ' A' ' 86' ' ' PHE . 1.7 mt -136.71 116.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.51 -5.34 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 30.3 mttt -142.67 72.47 20.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.39 21.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -24.71 66.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.562 ' HE3' ' CD2' ' A' ' 40' ' ' PHE . 87.5 mtp -87.15 -30.31 21.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.575 ' CZ ' HD11 ' A' ' 80' ' ' ILE . 2.0 m-85 -64.98 -35.58 81.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -41.0 -54.44 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.2 m -45.64 -48.31 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . -58.31 -58.63 7.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.9 mt -48.15 -44.28 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -54.19 -65.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -86.93 44.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 89' ' ' ALA . 3.8 m -134.15 142.1 47.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.11 146.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.043 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -125.76 97.9 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 69.65 5.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.791 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 95.6 p -80.48 131.79 35.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 t -140.36 105.04 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.46 127.76 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -122.66 -67.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.472 ' CA ' HG13 ' A' ' 63' ' ' ILE . . . -158.2 113.79 0.58 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.127 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 58.21 161.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.058 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -117.87 -39.93 3.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.94 -58.27 8.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.7 mt -40.77 -48.72 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -49.02 -63.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.83 68.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -62.23 -61.88 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -56.31 -32.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.71 -48.54 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -67.93 -38.31 82.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.4 tp -46.46 -68.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 21.4 m-30 -49.1 -60.78 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -42.9 -59.18 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.9 -48.11 5.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -36.35 26.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.86 -45.37 94.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.73 -51.24 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.22 -22.22 66.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 35.72 5.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -104.85 169.68 8.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.65 10.54 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -124.82 -177.82 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.39 153.3 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.441 HG11 ' CG1' ' A' ' 90' ' ' ILE . 38.6 t -141.22 124.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -39.75 157.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 63.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.416 1.745 . . . . 0.0 110.976 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -41.45 -44.01 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.33 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.595 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 6.3 mp -50.67 -51.21 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -65.86 -9.78 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -99.39 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 2.0 m -72.93 -26.27 61.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.572 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 24.3 m-85 -131.32 68.94 81.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -26.56 10.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -85.97 45.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -167.84 -42.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.595 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 38.7 m-85 -115.54 133.4 56.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.561 ' CE1' ' HB ' ' A' ' 79' ' ' ILE . 7.7 p90 -176.18 156.11 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.423 HG23 ' CZ ' ' A' ' 78' ' ' PHE . 54.8 t -107.3 139.38 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.38 169.98 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.01 -16.11 49.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 28.1 mt -40.3 155.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -74.98 143.28 28.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.3 tt0 34.49 -146.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.89 32.58 3.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.24 113.09 15.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.0 122.34 7.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.479 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . 62.6 t80 -50.56 90.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' PRO . 1.7 mmm-85 -122.93 -174.25 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -70.88 143.9 89.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.81 21.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.3 t -89.8 50.25 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -167.04 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.554 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 7.7 m-85 -51.01 -179.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.6 172.16 27.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 37.2 mt -58.5 -44.01 98.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.554 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -47.76 -35.7 10.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.25 -54.22 43.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.43 -42.41 82.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.57 -51.64 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.47 -59.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.1 -57.24 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.64 -41.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -112.01 54.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -77.48 -49.27 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -45.31 79.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -55.26 -48.93 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.7 mt -43.04 150.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -150.19 137.75 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.423 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 5.7 m-85 -101.47 130.82 47.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 1.4 mp -109.77 136.49 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.536 HD11 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -138.63 112.8 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -93.56 -27.2 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 23.4 mttp -123.81 75.79 56.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.09 16.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -23.54 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.572 ' HE3' ' CD2' ' A' ' 40' ' ' PHE . 80.5 mtp -88.27 -29.01 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CZ ' HD11 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -65.43 -36.03 82.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.64 -49.82 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -48.25 -38.16 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.76 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.441 ' CG1' HG11 ' A' ' 30' ' ' VAL . 3.5 mt -49.34 -41.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -62.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.26 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.7 p -55.11 -60.64 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.8 m 47.41 83.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.12 98.65 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.24 5.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.5 p -53.67 151.72 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.7 p -73.72 158.84 33.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.45 -58.45 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -70.49 -65.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.17 113.2 4.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 7' ' ' GLY . 54.3 p 58.5 -173.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.963 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.95 -77.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -39.62 -54.14 2.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 43.0 mt -49.12 -52.75 24.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -36.9 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -70.56 -68.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.442 HG11 ' CE2' ' A' ' 16' ' ' PHE . 57.9 t -48.29 -24.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -65.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -57.31 -32.15 66.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -50.81 -65.13 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.442 ' CE2' HG11 ' A' ' 12' ' ' VAL . 22.6 m-85 -53.21 -56.44 16.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.062 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -48.06 -37.41 15.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.506 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 3.6 mmtt -53.16 -28.19 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . 11.0 t -52.96 -71.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.534 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -50.6 -42.54 44.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.09 -56.23 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 mp -64.03 -12.94 43.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 48.72 2.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -124.54 165.45 17.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -106.36 17.74 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -120.51 176.11 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.43 160.09 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 21' ' ' GLY . 1.3 p -163.42 124.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' VAL . 4.0 ttmt -38.43 155.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 20' ' ' CYS . 67.5 t -117.88 123.34 29.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.471 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.0 66.86 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -41.02 -27.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 33' ' ' PRO . . . -63.22 -52.78 60.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.605 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 4.5 mp -49.81 -43.25 48.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.59 -15.84 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -97.48 -53.41 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -71.77 -31.79 66.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 22.6 m-85 -128.14 69.98 78.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -22.08 15.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.18 40.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -165.99 -44.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.605 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 30.6 m-85 -114.52 116.16 28.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.57 ' CE2' HG13 ' A' ' 79' ' ' ILE . 44.1 p90 -159.2 150.48 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.436 HG22 ' CE1' ' A' ' 78' ' ' PHE . 54.7 t -108.8 131.11 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.4 mm-40 -104.22 167.14 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.76 -33.86 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 23.1 mt -40.67 152.34 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.29 12.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.3 132.07 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.35 -16.29 56.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 69' ' ' ILE . 48.6 t -107.14 103.86 49.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -174.0 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.529 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 57.9 t80 -102.53 43.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -171.7 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 147.32 68.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -85.06 57.99 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.48 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 10.2 m-85 -59.23 -176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.69 168.73 20.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 57.9 mt -57.72 -43.97 99.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.512 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm-85 -49.49 -33.89 15.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.06 -55.77 28.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -40.77 77.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -44.3 -40.12 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.435 HD13 ' CG1' ' A' ' 53' ' ' VAL . 4.5 mt -70.14 -58.2 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.43 ' CD1' HG23 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -42.96 -51.76 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -40.07 -38.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -112.37 55.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -25.31 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.97 -37.22 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.25 -45.15 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.9 mt -40.89 146.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' GLU . 28.6 tttt -149.45 130.6 14.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 3.4 m-85 -90.47 138.47 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.57 HG13 ' CE2' ' A' ' 45' ' ' TYR . 13.6 mm -120.61 132.91 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.416 HD12 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -136.99 111.63 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -100.49 -1.06 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 18.6 mttt -148.38 78.1 9.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -26.72 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -56.75 -26.53 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.9 mmm -90.81 -12.14 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -86.3 -29.49 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.36 -50.54 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -51.03 -41.06 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -70.83 -49.94 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.2 mt -56.34 -37.14 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -62.0 -54.84 36.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.04 -53.52 10.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.32 145.01 49.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.49 -53.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.59 157.03 20.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.2 p -154.4 170.08 22.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.7 p -80.97 126.74 31.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -173.12 -57.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 110.056 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.85 126.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.82 -150.13 16.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -71.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.95 160.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.86 -71.54 2.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 1.4 mm? -48.65 -53.0 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.1 mtmt -38.43 -58.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -57.61 11.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -66.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG13 ' CE2' ' A' ' 16' ' ' PHE . 71.2 t -48.17 -45.19 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.9 mm-40 -52.44 -67.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.22 -42.5 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.8 tp -41.82 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CE2' HG13 ' A' ' 12' ' ' VAL . 20.6 m-85 -46.98 -58.89 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -44.96 -49.98 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -56.56 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmmt -51.57 -46.61 63.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . 9.0 t -41.57 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.566 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -52.83 -45.39 61.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -34.35 53.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' CB ' HG13 ' A' ' 80' ' ' ILE . . . -54.78 -56.32 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD23 ' CD1' ' A' ' 90' ' ' ILE . 2.1 mp -63.96 -12.77 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.67 57.64 1.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.6 mt -132.85 164.68 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.08 12.85 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 2.1 pm0 -111.01 171.88 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.6 140.18 42.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.566 ' CG1' ' N ' ' A' ' 21' ' ' GLY . 0.5 OUTLIER -136.31 117.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -38.14 128.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 20' ' ' CYS . 20.8 t -71.31 113.75 21.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.461 ' CG ' HD13 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.03 77.07 3.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -53.25 -19.0 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -17.57 58.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' A' ' 86' ' ' PHE . 12.5 mt -86.24 -35.06 20.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 39.1 m-85 -78.58 -30.16 46.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 39' ' ' SER . 7.2 pt-20 -66.17 -47.31 74.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.52 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 3.8 m -80.88 -41.28 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.75 73.18 62.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 5.7 mt-10 -47.14 -46.77 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 28.3 m-20 -71.58 -62.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 35.4 m-85 -93.98 111.34 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.618 ' CZ ' ' CG2' ' A' ' 79' ' ' ILE . 10.6 p90 -154.25 159.82 41.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.608 ' CG2' ' CE1' ' A' ' 55' ' ' PHE . 55.1 t -110.63 141.05 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.1 mt-10 -128.44 135.61 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 126.12 -24.36 5.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 10.6 mt -39.42 154.29 0.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.3 Cg_endo -75.03 160.99 39.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.17 145.63 30.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.2 17.3 23.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.08 90.51 47.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 177.51 8.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.81 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.608 ' CE1' ' CG2' ' A' ' 46' ' ' VAL . 65.5 t80 -90.66 101.72 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 -175.98 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.76 152.6 95.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -41.42 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -73.71 64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.07 -42.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -53.41 148.91 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 171.76 6.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 38.7 mt -63.17 -44.18 83.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -46.54 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.558 1.82 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.459 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 6.2 mt -53.23 -55.08 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -42.83 83.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.76 -47.66 50.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.5 -59.91 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' HD11 ' A' ' 8' ' ' LEU . 6.6 mt -44.95 -55.91 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 6.5 mtp-105 -41.33 -28.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 50' ' ' PRO . 91.5 m-20 -120.11 49.85 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.24 -2.89 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.52 -39.69 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.33 -43.02 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.413 HG22 ' N ' ' A' ' 77' ' ' LYS . 44.2 mt -45.27 140.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' GLU . 12.9 tttp -150.71 128.7 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 4.8 m-85 -91.87 119.82 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.618 ' CG2' ' CZ ' ' A' ' 45' ' ' TYR . 17.0 mm -94.1 123.54 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.427 HG13 ' CB ' ' A' ' 23' ' ' ALA . 9.4 mm -121.71 111.48 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.35 -30.23 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 8.2 mttt -118.87 80.37 17.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.26 5.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -62.99 -20.15 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.9 mmm -84.18 -24.54 30.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' A' ' 36' ' ' LEU . 2.8 m-85 -83.43 -22.84 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.11 -47.51 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -58.01 -39.27 77.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.456 ' CD1' HD23 ' A' ' 24' ' ' LEU . 81.7 mt -40.91 -39.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -66.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.68 -53.58 30.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.1 -53.67 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.0 m -111.48 87.61 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.56 154.9 16.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 62.83 5.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.9 t 61.43 125.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.36 -72.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -78.02 132.48 37.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p -156.19 179.55 9.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.98 -112.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -111.11 140.05 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.39 -172.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.53 -79.23 0.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 0.5 OUTLIER -47.78 -45.49 29.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.0 mttt -38.83 -62.03 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -63.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -44.09 -65.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.557 HG13 ' CE2' ' A' ' 16' ' ' PHE . 94.9 t -50.61 -50.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.6 mm-40 -47.73 -53.9 13.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -63.77 -46.32 85.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.7 tp -40.92 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CE2' HG13 ' A' ' 12' ' ' VAL . 21.4 m-85 -43.81 -55.38 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -52.67 -50.43 63.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -56.71 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 16.9 mmtt -45.89 -45.49 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.3 t -42.09 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.83 -45.87 18.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -43.2 62.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.53 -56.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 82.96 68.84 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.2 mt -126.86 161.98 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -93.77 -4.86 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.21 -175.61 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.54 161.7 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.431 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 44.6 t -144.01 123.69 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 151.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.83 107.03 59.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.461 ' HB2' ' CD1' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 65.66 6.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -39.14 -36.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.01 58.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.604 ' HB3' ' CD2' ' A' ' 44' ' ' PHE . 5.0 mp -49.77 -46.86 51.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -67.15 -15.59 63.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.3 -56.58 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 67.1 m -71.33 -32.37 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.478 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 20.9 m-85 -125.73 72.71 68.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -27.68 9.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.425 1.75 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.83 46.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -169.54 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' CD2' ' HB3' ' A' ' 36' ' ' LEU . 25.0 m-85 -120.22 120.4 36.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 79' ' ' ILE . 39.5 p90 -162.67 152.05 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.443 HG23 ' CZ ' ' A' ' 55' ' ' PHE . 77.8 t -103.52 146.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mm-40 -132.26 140.7 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.91 -27.1 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 8.0 mt -40.36 152.95 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.04 36.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 138.65 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.33 10.73 70.45 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.1 t -130.62 94.87 28.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.3 t80 -88.89 36.48 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 2.6 mmm180 -68.75 -177.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 151.98 96.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.5 Cg_endo -74.93 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.029 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -68.82 63.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -173.84 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m-85 -55.58 153.12 8.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.64 177.67 6.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.7 mt -67.76 -44.41 42.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.35 -39.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.468 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 13.0 mt -58.2 -58.48 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -51.07 -40.16 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' ILE . 11.1 mtmt -50.52 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 68' ' ' LYS . 6.3 mt -39.04 -56.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -48.22 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -39.02 -38.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -107.59 51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.8 ptpt -88.03 -29.44 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.16 57.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -65.07 -39.0 92.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.1 mt -51.26 143.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.7 ttpp -150.78 136.71 18.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 4.6 m-85 -96.83 125.41 41.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 45' ' ' TYR . 7.0 mm -105.54 134.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.547 HD11 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -134.88 111.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -95.6 -21.78 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 29.8 mttt -128.02 73.76 79.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.07 17.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.31 -11.7 34.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.478 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 1.2 mmm -100.57 -26.29 13.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' A' ' 80' ' ' ILE . 1.7 m-85 -68.75 -36.37 78.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.96 -57.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.4 m -45.68 -40.0 8.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -68.85 -49.54 57.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.9 mt -59.12 -37.13 66.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -56.84 -60.19 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.67 43.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.9 t -100.95 121.08 41.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.03 167.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.34 168.54 30.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -155.37 113.47 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -158.88 89.39 0.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p -70.84 157.0 38.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.57 166.05 10.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.23 -70.24 0.24 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.46 ' CB ' HG21 ' A' ' 63' ' ' ILE . 1.4 t 42.04 82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.27 58.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.17 -76.27 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 0.6 OUTLIER -58.16 -44.92 88.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -39.09 -56.42 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -55.98 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.17 -62.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.576 HG11 ' CE2' ' A' ' 16' ' ' PHE . 96.6 t -54.96 -44.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -64.94 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -55.78 -46.03 78.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.4 tp -40.91 -69.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.576 ' CE2' HG11 ' A' ' 12' ' ' VAL . 22.6 m-30 -46.36 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -41.98 -66.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.98 -55.5 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmtt -46.03 -52.08 12.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 t -43.64 -59.24 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.258 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.571 ' CA ' HG13 ' A' ' 30' ' ' VAL . . . -57.98 -37.91 87.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -32.45 73.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' LYS . . . -57.64 -46.36 84.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 ' HG ' ' CD1' ' A' ' 90' ' ' ILE . 3.2 mm? -67.21 -21.04 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 20.62 10.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.4 mt -99.04 170.77 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 0.794 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -112.55 18.99 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.17 -179.1 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.16 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG13 ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -165.29 115.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -40.1 135.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 t -80.35 114.19 45.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -74.98 75.45 3.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -52.2 -19.96 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -21.88 56.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.1 mt -81.96 -34.22 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 72.1 m-85 -81.35 -32.04 33.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.5 pt-20 -68.39 -47.09 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -74.0 -42.69 60.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.94 71.42 68.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.6 10.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.63 -15.68 61.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.13 -48.36 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 58.6 m-85 -112.43 131.07 55.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' ILE . 19.2 p90 -169.72 154.33 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 78' ' ' PHE . 57.0 t -104.79 143.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -121.56 173.72 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.03 -23.5 17.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 50.7 mt -39.83 154.07 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.94 25.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -63.2 147.21 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.45 18.94 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.4 t -129.54 91.3 41.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -173.94 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.547 ' CE1' HG21 ' A' ' 46' ' ' VAL . 41.0 t80 -99.35 96.2 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -139.37 178.55 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -50.1 144.57 10.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.407 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -58.28 -17.65 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -47.46 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 69' ' ' ILE . 16.8 m-85 -55.85 167.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -87.76 172.28 42.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.667 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.8 mm -59.17 -42.53 93.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -50.85 -31.47 17.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 12.8 mt -62.83 -57.87 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -42.47 52.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -47.58 -55.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 61' ' ' PHE . 4.3 mt -49.54 -57.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 72' ' ' ASN . 10.4 mt -42.9 -59.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -38.37 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 68.3 m-20 -121.57 54.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -85.42 -47.11 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.93 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 9.9 mt -40.94 144.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -150.39 152.52 34.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 4.7 m-85 -113.22 130.18 56.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.571 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 1.3 mp -105.73 118.21 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.5 mm -115.65 112.15 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -90.22 -39.14 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -119.43 83.02 25.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.14 4.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.37 -27.47 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 mmm -82.93 -13.75 55.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -93.97 -20.12 20.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -47.65 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -54.31 -28.03 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -80.85 -50.04 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.457 ' CD1' ' HG ' ' A' ' 24' ' ' LEU . 2.8 mp -56.83 -37.15 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -76.84 -43.64 35.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.31 -52.26 66.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.74 100.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.5 t -140.87 111.68 7.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.82 91.43 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.1 t -146.13 -59.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m -83.62 -59.52 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.6 mt -41.39 -56.52 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -53.29 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -47.65 83.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -52.3 -59.92 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.757 HG12 ' CE2' ' A' ' 16' ' ' PHE . 46.7 t -54.98 -31.0 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -65.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -52.83 -40.87 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 HG13 ' A' ' 12' ' ' VAL . 2.1 tp -45.7 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.776 ' HB3' HG21 ' A' ' 32' ' ' VAL . 23.0 m-85 -53.44 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.608 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.6 m120 -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -62.76 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.9 mmtt -41.08 -47.27 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -48.65 -67.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 108.302 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.53 -46.78 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -31.64 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -60.6 -43.61 97.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.507 HD21 ' CD2' ' A' ' 86' ' ' PHE . 3.0 mm? -75.98 -15.68 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.92 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.11 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.88 169.82 9.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -112.13 12.95 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -127.72 -177.4 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.608 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -96.36 148.47 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 31' ' ' LYS . 20.9 t -139.26 121.6 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -39.74 122.42 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.776 HG21 ' HB3' ' A' ' 16' ' ' PHE . 55.7 t -64.19 112.17 7.04 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -38.0 -38.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.6 -48.95 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' PRO . 18.3 mt -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 87.5 m-85 -81.04 -22.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.07 -37.32 22.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -85.59 -40.41 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -123.57 74.1 53.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.3 15.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.0 41.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -164.0 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.5 m-85 -115.82 134.26 55.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.748 ' OH ' HG21 ' A' ' 79' ' ' ILE . 20.3 p90 -173.75 150.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 55' ' ' PHE . 62.9 t -99.29 137.34 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 170.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.98 -24.08 20.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 55' ' ' PHE . 31.4 mt -42.61 151.41 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.0 167.53 26.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.911 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -61.05 147.84 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.12 24.29 9.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 51' ' ' GLU . 40.9 t -130.57 91.76 36.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.802 ' CE1' HG21 ' A' ' 46' ' ' VAL . 35.2 t80 -89.59 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -80.63 -178.19 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 144.48 90.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.75 21.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.458 1.767 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.5 p -89.12 48.97 1.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.05 -43.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.8 177.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.549 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -95.95 -177.23 36.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.9 mt -67.23 -45.48 50.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.447 1.762 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -49.83 -33.69 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 62' ' ' GLY . 10.3 mt -63.32 -50.83 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.42 -38.13 88.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -49.51 -38.57 30.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.611 HG13 HG11 ' A' ' 53' ' ' VAL . 4.1 mt -69.89 -62.81 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.27 -49.55 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -39.91 -40.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -112.45 53.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -83.62 -8.57 59.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.89 -26.32 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -80.41 -35.76 34.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 69' ' ' ILE . 26.2 mt -54.65 143.38 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.64 150.13 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' C ' HD12 ' A' ' 79' ' ' ILE . 7.2 m-85 -110.74 124.53 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.748 HG21 ' OH ' ' A' ' 45' ' ' TYR . 1.1 mp -102.92 119.05 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mm -116.36 111.68 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.24 -36.14 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.67 81.47 40.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.31 12.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.93 -18.62 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -92.7 -8.57 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -86.4 -34.54 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.02 -43.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.5 m -52.47 -46.09 66.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -64.01 -53.55 48.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 86' ' ' PHE . 3.1 mt -56.24 -32.71 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -55.96 -50.75 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.2 mttt -38.91 -61.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -54.71 41.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CB ' HD11 ' A' ' 70' ' ' LEU . 2.0 mtpt -50.98 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 16' ' ' PHE . 86.3 t -43.53 -46.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 3.3 mm-40 -51.47 -47.94 63.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -67.93 -41.98 81.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.5 tp -45.97 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.736 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.3 m-85 -48.19 -64.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.669 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 5.6 m-80 -40.66 -64.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -61.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 8.1 mmmt -43.86 -40.97 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.7 t -43.87 -70.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.326 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.12 -45.52 81.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -40.48 14.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -52.7 -57.74 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.71 -14.47 62.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.51 69.92 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -126.77 164.01 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.66 -9.63 37.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -112.58 -175.06 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -100.96 170.71 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 9.3 t -150.63 119.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -40.19 121.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.736 HG21 ' HB3' ' A' ' 16' ' ' PHE . 55.8 t -65.54 112.81 9.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . 70.2 m-85 -35.74 -35.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -54.95 -53.91 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 33' ' ' PRO . 22.9 mt -51.41 -38.69 54.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 76.9 m-85 -79.36 -24.69 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' PHE . 5.1 mm-40 -79.41 -28.7 41.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -97.08 -39.0 9.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.488 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 22.9 m-85 -128.76 71.33 81.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -75.0 -27.85 9.66 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.05 -22.7 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.48 -37.16 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 43.3 m-85 -120.32 119.97 34.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.878 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 50.0 p90 -161.2 154.41 21.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.816 HG21 ' CE1' ' A' ' 55' ' ' PHE . 15.1 t -103.06 146.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -129.13 142.35 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.34 -20.31 9.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -48.91 151.28 2.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.82 141.05 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.15 10.61 59.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.711 HG11 HG13 ' A' ' 69' ' ' ILE . 41.7 t -127.98 95.4 34.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.54 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CE1' HG21 ' A' ' 46' ' ' VAL . 46.7 t80 -96.36 39.12 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -76.91 -178.82 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -62.14 150.5 83.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.06 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 p -72.51 58.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.43 -47.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -53.52 176.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -84.25 -177.31 51.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -68.53 -44.92 35.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -36.07 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.4 mt -60.11 -57.38 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.18 -45.73 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -44.37 -50.36 9.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.711 HG13 HG11 ' A' ' 53' ' ' VAL . 4.5 mt -54.07 -60.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 8' ' ' LEU . 5.2 mt -43.85 -58.22 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -39.15 -33.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -116.47 54.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.2 pttt -88.89 -13.67 38.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.62 -31.77 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -29.41 63.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.4 HG23 ' CG1' ' A' ' 46' ' ' VAL . 37.9 mt -61.47 147.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.5 tttt -150.68 148.44 28.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.56 ' C ' HD13 ' A' ' 79' ' ' ILE . 2.8 m-85 -103.4 127.27 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.878 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.2 mm -106.73 132.74 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.45 HG23 ' CE1' ' A' ' 44' ' ' PHE . 1.5 mt -138.51 111.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.5 -12.49 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.8 mttt -139.35 80.88 21.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -10.17 21.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.04 -19.4 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.488 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 92.8 mtp -93.06 -7.05 46.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.16 -34.11 16.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -48.76 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -48.83 -49.17 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.78 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mt -51.95 -32.03 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 tttp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 70' ' ' LEU . 1.1 mm? -53.47 -49.66 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 48.4 mttt -38.32 -59.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.1 79.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.589 HG13 HG21 ' A' ' 69' ' ' ILE . 22.8 t -43.97 -37.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 7.3 mm-40 -58.89 -60.33 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.69 -36.07 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.6 tp -47.86 -70.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 32' ' ' VAL . 21.5 m-85 -45.83 -63.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.461 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.8 m120 -39.99 -63.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -54.55 9.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 12.3 mmtt -50.07 -54.83 17.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 41.7 t -42.14 -66.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.79 -42.99 7.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -35.39 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -58.72 -46.16 87.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.656 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.3 mm? -71.69 -14.45 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.6 28.41 12.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 HG21 ' A' ' 30' ' ' VAL . 58.9 mt -96.51 167.84 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 9.39 30.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -126.43 -178.09 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -88.5 156.71 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 26' ' ' LEU . 30.7 t -149.71 124.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 2.1 ttpt -40.91 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 16' ' ' PHE . 46.0 t -107.89 107.07 59.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.04 66.35 6.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -41.29 -27.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -66.46 -53.04 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -27.85 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -85.2 -26.73 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 39' ' ' SER . 2.7 pt-20 -84.04 -46.2 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 44.3 m -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -133.44 70.88 76.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 2.4 tt0 -86.97 44.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -172.17 -43.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 56.7 m-85 -110.77 125.68 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 10.9 p90 -170.87 155.29 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.74 HG21 ' CE1' ' A' ' 55' ' ' PHE . 78.3 t -104.13 145.46 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.2 mt-10 -127.43 169.51 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.61 -26.92 15.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 76' ' ' ILE . 31.7 mt -40.9 151.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.4 Cg_endo -75.07 127.88 10.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.51 131.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.79 -8.93 78.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.561 HG11 HG13 ' A' ' 69' ' ' ILE . 49.7 t -115.13 107.35 49.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -167.67 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.74 ' CE1' HG21 ' A' ' 46' ' ' VAL . 37.3 t80 -107.7 37.04 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 177.45 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -57.46 147.99 56.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.96 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -56.81 -18.02 11.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.16 -33.66 38.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 69' ' ' ILE . 16.9 m-85 -69.52 169.23 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.675 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -90.41 -174.43 44.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.9 mt -64.79 -45.7 75.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -57.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 1.3 ttm-85 -46.54 -33.14 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 62' ' ' GLY . 10.4 mt -64.63 -57.45 9.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -46.86 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -42.93 -51.99 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 61' ' ' PHE . 3.7 mt -52.07 -60.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 8' ' ' LEU . 7.4 mt -42.95 -56.47 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -38.54 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 76' ' ' ILE . 90.6 m-20 -119.4 57.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 74' ' ' ALA . 41.3 pttt -87.83 -49.82 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 73' ' ' LYS . . . -67.89 -37.74 82.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -64.51 -50.29 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 72' ' ' ASN . 8.6 mt -40.91 145.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -149.32 143.62 25.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.638 ' C ' HD12 ' A' ' 79' ' ' ILE . 5.2 m-85 -106.03 128.34 53.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.818 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -106.12 121.31 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.515 HG13 ' HB1' ' A' ' 23' ' ' ALA . 2.6 mm -122.21 111.49 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -90.7 -35.68 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 2.7 mmtt -117.63 80.57 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.762 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.27 -12.55 57.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.1 mmm -90.01 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.8 m-85 -82.26 -28.36 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 90' ' ' ILE . 1.0 OUTLIER -41.44 -40.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.2 m -59.82 -44.39 94.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -71.2 -38.93 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 24' ' ' LEU . 74.2 mt -59.22 -22.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.2 tttt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -52.84 -56.1 18.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -44.94 -59.7 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.07 58.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -50.19 -57.35 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.518 HG12 ' CE2' ' A' ' 16' ' ' PHE . 90.7 t -58.77 -43.65 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -49.51 -48.72 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.65 -45.41 83.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.973 HD12 ' HD3' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -41.36 -61.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.862 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.4 m-85 -53.21 -37.9 62.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.704 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.1 m-80 -65.71 -51.14 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.81 -69.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.973 ' HD3' HD12 ' A' ' 15' ' ' LEU . 14.1 mptt -39.39 -48.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.59 ' HB2' HG22 ' A' ' 32' ' ' VAL . 7.9 t -48.4 -63.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.66 -32.79 32.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.31 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -58.57 -45.16 89.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.2 mm? -69.0 -19.18 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.06 37.43 4.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.408 HD13 HE21 ' A' ' 28' ' ' GLN . 37.7 mt -113.21 169.45 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -111.45 10.91 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.408 HE21 HD13 ' A' ' 26' ' ' LEU . 2.6 pm0 -118.81 178.87 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -93.33 146.02 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -137.86 126.45 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.67 121.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.862 HG21 ' HB3' ' A' ' 16' ' ' PHE . 76.5 t -68.39 113.13 13.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -75.01 72.94 4.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -51.08 -22.8 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.8 -28.06 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 36' ' ' LEU . 15.3 mt -76.1 -32.6 59.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 84.6 m-85 -83.76 -34.98 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.0 pt-20 -67.74 -47.41 69.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 1.9 m -74.52 -41.86 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -127.08 72.05 76.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -19.42 17.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.15 -22.0 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -95.3 -38.57 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.521 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 58.1 m-85 -123.46 135.95 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.873 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 25.1 p90 -171.32 156.57 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.558 HG23 ' CE2' ' A' ' 55' ' ' PHE . 74.8 t -107.65 145.63 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -123.65 175.5 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.99 -25.45 9.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.0 mt -42.68 149.95 0.45 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.96 159.61 41.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.9 pt-20 -57.3 144.36 36.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.85 14.85 46.55 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 51' ' ' GLU . 21.3 t -127.14 95.08 37.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 46' ' ' VAL . 7.2 t80 -97.85 34.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.91 -178.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -64.71 146.08 98.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.66 21.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.3 m -92.63 50.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.45 -43.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -47.27 158.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.07 164.68 54.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 93.0 mt -56.85 -44.35 99.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.97 -44.79 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -50.77 -40.99 56.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.18 -50.4 61.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.1 -35.58 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -53.72 -40.32 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.649 HG13 HG11 ' A' ' 53' ' ' VAL . 4.9 mt -66.82 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -41.49 -49.98 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -39.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -112.82 54.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.9 pttt -91.32 0.3 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.89 -18.46 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -94.42 -28.8 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 18.9 mt -52.99 147.82 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.95 146.94 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.623 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 4.2 m-85 -111.41 123.08 49.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.873 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.2 mp -97.97 123.82 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.5 mm -123.29 111.58 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -89.26 -39.3 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -120.64 86.93 40.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.52 4.47 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.92 -17.87 11.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 94.2 mtp -86.64 -20.24 28.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.6 m-85 -82.24 -33.04 29.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.5 OUTLIER -40.3 -48.7 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 m -45.57 -53.19 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.39 -58.17 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 87' ' ' GLU . 6.2 mt -47.33 -42.59 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 70' ' ' LEU . 1.4 mm? -49.07 -49.65 40.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -38.47 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.39 -56.8 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -56.38 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 16' ' ' PHE . 24.0 t -56.99 -36.89 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.5 -67.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -56.3 -36.07 68.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.3 tp -46.48 -66.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.743 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.6 m-85 -50.77 -61.59 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.9 m120 -42.45 -61.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.68 -59.99 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 17.8 mmtt -47.49 -54.04 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -42.25 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.01 -41.67 11.07 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -34.74 78.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -62.07 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.772 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.3 mm? -76.58 -17.15 59.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.21 41.1 4.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -115.99 170.63 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.24 -12.14 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -98.94 -175.43 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -100.76 149.65 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' LYS . 51.0 t -136.86 125.86 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -40.24 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.743 HG21 ' HB3' ' A' ' 16' ' ' PHE . 41.7 t -105.36 107.27 58.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 64.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -39.14 -29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -66.18 -57.78 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 mt -46.92 -27.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' CA ' ' A' ' 41' ' ' PRO . 42.9 m-85 -84.37 -40.29 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 39' ' ' SER . 6.2 pt-20 -70.14 -47.37 61.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.518 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 5.8 m -70.72 -40.78 72.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.1 69.75 81.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.432 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.01 -25.44 11.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -1.2 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.43 -40.29 2.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -125.1 118.46 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.895 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 29.5 p90 -152.57 154.8 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.73 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 56.0 t -105.17 146.58 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -126.11 174.0 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -26.15 9.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.1 mt -40.78 150.04 0.31 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.59 24.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -52.01 126.18 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.57 70.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.445 HG11 HG13 ' A' ' 69' ' ' ILE . 90.0 t -122.79 101.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.73 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.1 t80 -85.88 56.8 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -179.9 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.4 146.31 91.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 p -82.23 52.46 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.5 -43.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.421 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 15.5 m-85 -52.62 175.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.552 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -90.48 -179.19 43.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 14.0 mt -67.42 -44.8 47.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.03 -52.73 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm180 -49.01 -34.79 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.6 mt -60.34 -56.65 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.64 -36.98 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -39.01 57.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.445 HG13 HG11 ' A' ' 53' ' ' VAL . 5.5 mt -66.42 -56.31 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 8' ' ' LEU . 6.1 mt -43.64 -49.94 7.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 mtp180 -38.4 -36.38 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.629 ' O ' HD12 ' A' ' 76' ' ' ILE . 79.4 m-20 -113.08 55.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.5 pttt -86.7 -24.39 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.89 -39.79 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.89 -43.41 96.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 72' ' ' ASN . 10.4 mt -43.56 139.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -150.4 140.77 22.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.695 ' C ' HD12 ' A' ' 79' ' ' ILE . 3.9 m-85 -103.66 138.2 40.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.895 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -110.3 122.59 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.0 mm -121.65 111.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -88.28 -36.55 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -127.34 90.94 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.85 10.57 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mmm -81.5 -11.09 59.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.3 m-85 -93.21 -34.31 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -39.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 m -55.35 -42.75 74.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -73.25 -44.32 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.772 HD11 ' HG ' ' A' ' 24' ' ' LEU . 32.1 mt -54.3 -28.29 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 12' ' ' VAL . 48.5 mt -48.69 -50.47 33.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 20.4 mttt -53.23 -58.7 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -42.22 61.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 8' ' ' LEU . 52.2 t -61.64 -28.99 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 10.3 mm-40 -62.15 -57.14 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.5 tp -51.68 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.2 m-85 -45.01 -60.14 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -42.51 -66.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -62.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.5 mmtt -40.79 -51.06 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -42.55 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.18 -40.55 7.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -34.82 79.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.713 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -60.46 -43.27 97.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 86' ' ' PHE . 1.9 mm? -73.16 -13.12 61.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 37.4 6.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 mt -111.8 169.02 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -108.63 13.33 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -122.5 -179.41 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.74 156.18 17.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' LYS . 23.6 t -150.82 123.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.94 152.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -104.13 111.03 65.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.779 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.99 64.74 6.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -39.74 -34.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -57.57 -54.8 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.197 HD23 ' CE2' ' A' ' 44' ' ' PHE . 3.8 mp -46.66 -44.33 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -68.12 -24.71 65.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' ALA . 8.4 mm-40 -87.19 -57.91 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -68.78 -36.68 78.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 m-85 -126.07 71.02 68.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -25.96 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.72 44.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.76 -45.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 1.197 ' CE2' HD23 ' A' ' 36' ' ' LEU . 41.5 m-85 -115.71 115.79 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.878 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 49.7 p90 -158.29 150.67 22.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 78' ' ' PHE . 40.7 t -105.4 130.48 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.9 mt-10 -111.19 171.05 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.24 -31.28 7.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.5 mt -40.53 150.81 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 161.5 38.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -59.41 143.91 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.63 15.28 53.44 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 69' ' ' ILE . 59.7 t -128.99 92.43 39.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.0 t80 -92.42 38.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 mmm-85 -71.52 178.23 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -66.2 147.6 98.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.05 -39.5 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 m -73.11 58.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.26 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.93 178.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -93.03 173.64 34.86 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.463 1.102 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 28.5 mt -61.65 -44.33 91.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.93 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -34.23 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.9 mt -60.33 -54.84 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.28 -36.63 75.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.77 -41.01 61.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.674 HG13 HG11 ' A' ' 53' ' ' VAL . 6.1 mt -70.59 -59.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -43.82 -47.29 8.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -42.42 -42.97 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -109.16 53.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -86.43 -8.41 57.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.65 -27.71 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -79.63 -35.15 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.48 HG23 ' CG1' ' A' ' 46' ' ' VAL . 33.2 mt -53.12 147.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -150.07 146.39 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.713 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 4.9 m-85 -107.85 119.73 40.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.878 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 4.1 mm -94.42 127.62 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 86' ' ' PHE . 2.4 mm -128.61 111.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -99.02 -17.74 18.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 24.8 mttt -131.19 80.97 67.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.89 10.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.49 -30.56 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.0 mmm -78.35 -21.48 49.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.531 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.6 m-85 -78.77 -28.69 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -44.88 10.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -55.5 -41.28 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.74 66.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.76 -27.23 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 12' ' ' VAL . 84.1 mt -40.7 -55.34 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLU . 7.7 mttt -44.2 -59.74 2.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -49.45 60.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -57.7 -44.22 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 8' ' ' LEU . 48.8 t -68.11 -33.12 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.8 mm-40 -60.07 -51.18 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -44.93 -68.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.581 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.8 m-85 -49.88 -61.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.602 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 3.1 m-80 -40.43 -62.75 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.87 -54.03 13.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 7.2 mmtt -48.29 -42.08 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.793 ' HB3' HG13 ' A' ' 30' ' ' VAL . 8.4 t -61.89 -60.28 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.542 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -55.65 -23.02 34.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.53 -35.26 24.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.63 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.7 mm? -68.01 -19.73 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 43.73 2.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.28 170.6 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 9.6 mttm -113.12 22.88 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 1.6 pm0 -118.98 171.99 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.602 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -95.19 160.78 14.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.793 HG13 ' HB3' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -161.85 119.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.78 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.581 HG21 ' HB3' ' A' ' 16' ' ' PHE . 42.7 t -99.46 110.73 59.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 76.99 3.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -53.92 -18.63 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.85 60.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 36' ' ' LEU . 8.2 mt -80.43 -37.35 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 90.7 m-85 -79.96 -35.37 37.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.8 pt-20 -63.84 -47.22 81.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.502 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 46.5 m -76.62 -39.26 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -127.05 70.74 75.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -75.01 -23.73 13.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.53 -43.5 80.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.73 -53.08 7.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 36.8 m-85 -103.54 138.25 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.95 ' OH ' HG21 ' A' ' 79' ' ' ILE . 38.7 p90 -178.5 152.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.833 HG21 ' CE1' ' A' ' 55' ' ' PHE . 50.8 t -105.92 133.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -117.94 163.23 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.55 45.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.6 mt -42.81 150.77 0.42 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 160.97 39.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.3 mt-10 -58.56 145.23 40.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.26 17.79 32.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.602 HG11 HG13 ' A' ' 69' ' ' ILE . 60.4 t -129.83 92.53 36.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.95 4.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 46' ' ' VAL . 31.6 t80 -93.8 53.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -88.08 178.37 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 147.66 98.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.8 17.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -84.44 49.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -43.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -49.13 164.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -87.57 -174.93 48.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.4 mt -66.3 -45.49 60.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.506 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -49.17 -32.23 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 62' ' ' GLY . 9.7 mt -63.3 -49.01 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.49 -38.51 81.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -46.31 -40.49 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.602 HG13 HG11 ' A' ' 53' ' ' VAL . 4.4 mt -69.64 -59.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.6 -45.78 6.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -47.11 -37.6 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -117.8 53.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -81.92 -32.3 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.85 36.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.63 -39.11 91.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 23.2 mt -52.62 151.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.7 tttt -150.72 146.09 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' C ' HD13 ' A' ' 79' ' ' ILE . 8.9 m-85 -110.46 118.08 35.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.95 HG21 ' OH ' ' A' ' 45' ' ' TYR . 3.6 mm -95.12 132.48 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.69 111.52 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -98.52 -20.01 17.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -127.51 77.41 75.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 93.0 mtp -87.77 -10.2 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -91.29 -24.62 19.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 -47.86 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -48.95 -43.11 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -69.69 -62.29 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.6 mt -40.7 -42.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.513 HD22 HD13 ' A' ' 70' ' ' LEU . 96.4 mt -48.75 -48.79 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.4 tttt -45.44 -47.7 13.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.36 -56.98 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -43.56 -50.0 7.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 58' ' ' PRO . 69.8 t -64.59 -41.43 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 15.7 mt-10 -57.73 -55.1 39.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -40.28 90.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -45.78 -67.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -46.59 -57.28 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -45.02 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.7 7.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.6 mmtt -56.0 -45.7 78.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HB3' HG13 ' A' ' 30' ' ' VAL . 11.8 t -46.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.573 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -51.99 -20.13 6.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -36.94 36.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB2' ' CB ' ' A' ' 78' ' ' PHE . . . -58.02 -39.63 78.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.8 mm? -71.68 -7.68 49.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.42 30.66 21.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD13 ' OE1' ' A' ' 28' ' ' GLN . 4.9 mt -114.48 170.98 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -112.28 23.87 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.499 ' OE1' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -114.0 169.67 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.83 140.58 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.573 HG12 ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -146.33 119.17 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 149.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.537 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 70.6 t -98.9 114.84 65.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HG2' HD12 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.02 76.37 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -50.69 -25.95 4.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.52 75.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 36' ' ' LEU . 14.1 mt -70.23 -40.52 74.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 96.6 m-85 -75.02 -15.86 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -91.54 -35.86 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -84.98 -36.09 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -127.9 72.3 78.79 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -17.71 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.28 36.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -161.81 -45.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 40.2 m-85 -112.15 127.68 56.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 79' ' ' ILE . 10.1 p90 -171.9 151.79 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.629 HG21 ' CE1' ' A' ' 55' ' ' PHE . 84.0 t -98.67 149.7 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mt-10 -130.08 164.52 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.7 -26.23 22.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.7 mt -42.65 151.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.77 32.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.564 1.823 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.895 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -58.8 152.11 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.85 22.28 2.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 51' ' ' GLU . 46.9 t -130.8 91.7 36.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.91 9.3 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.629 ' CE1' HG21 ' A' ' 46' ' ' VAL . 32.9 t80 -90.07 36.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 mmt180 -65.55 174.66 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -62.11 150.51 83.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.614 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.04 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -69.58 60.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.73 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.492 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 8.9 m-85 -51.81 161.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.422 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -72.84 -178.29 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 27.0 mt -71.64 -45.24 12.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -44.23 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.492 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -51.63 -41.43 61.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.554 ' CD2' HG21 ' A' ' 12' ' ' VAL . 8.9 mt -54.74 -49.26 71.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.22 96.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -52.66 -39.76 62.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.52 HG13 HG11 ' A' ' 53' ' ' VAL . 5.3 mt -67.23 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.513 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -46.34 -51.35 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.27 50.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 74' ' ' ALA . 2.3 ptpp? -75.38 -49.38 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 73' ' ' LYS . . . -64.37 -44.05 92.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -55.44 -46.53 76.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 19.0 mt -46.01 147.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.4 tttt -150.61 135.18 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.551 ' O ' HD13 ' A' ' 79' ' ' ILE . 7.9 m-85 -92.6 132.34 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 45' ' ' TYR . 14.7 mm -112.51 135.58 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 44' ' ' PHE . 1.6 mt -140.1 112.98 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -97.2 -11.02 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 43.7 mttt -137.43 72.6 50.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -79.12 -19.68 50.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.1 mmm -99.3 -2.76 35.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.88 -34.03 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.61 -53.31 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.2 m -42.1 -50.29 4.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.62 61.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.4 mt -55.83 -18.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.925 HD12 HD13 ' A' ' 70' ' ' LEU . 1.2 mm? -54.95 -41.49 71.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.14 -57.01 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLU . 1.6 tt0 -66.94 -64.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' CB ' HD21 ' A' ' 70' ' ' LEU . 1.1 mtpp -38.78 -48.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.736 HG23 HD11 ' A' ' 70' ' ' LEU . 77.3 t -65.18 -46.95 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' GLN . 3.2 mt-10 -47.98 -52.71 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' LEU . 9.8 m-80 -63.84 -46.79 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 73' ' ' LYS . 1.4 tp -40.09 -65.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 12' ' ' VAL . 23.1 m-85 -51.44 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.733 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.6 m-80 -44.01 -60.42 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -59.98 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 17.5 mmtt -41.52 -52.62 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -47.06 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.43 -33.89 8.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -44.62 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.56 88.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.35 39.18 4.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.32 170.81 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.84 12.6 27.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -126.24 -179.34 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -94.87 157.61 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.405 HG11 HG13 ' A' ' 90' ' ' ILE . 17.1 t -143.6 120.02 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.75 123.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 16' ' ' PHE . 69.0 t -69.87 115.52 34.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' PRO . 45.0 m-85 -34.16 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.3 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' PRO . 61.8 mt -48.29 -38.11 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 61.5 m-85 -78.43 -27.83 46.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -72.79 -39.46 66.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -88.9 -35.25 16.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -128.8 73.11 81.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.055 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.97 -36.13 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.44 -35.66 76.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -82.77 -49.38 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 34.8 m-85 -111.37 129.42 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.79 ' OH ' HG21 ' A' ' 79' ' ' ILE . 17.9 p90 -170.45 154.59 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 55' ' ' PHE . 98.2 t -105.11 127.31 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -107.92 163.62 12.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 -25.58 26.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 55' ' ' PHE . 31.3 mt -40.84 152.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.2 Cg_endo -74.97 152.09 40.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.34 140.15 34.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.3 10.91 58.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.688 HG11 HG13 ' A' ' 69' ' ' ILE . 40.1 t -127.96 93.41 39.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -175.96 2.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 11.4 t80 -90.56 36.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -178.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.74 149.7 97.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.96 -47.59 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 m -71.24 60.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.61 -48.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -50.87 162.91 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.15 -179.3 21.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -69.38 -44.61 26.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.0 Cg_endo -75.06 -51.63 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.438 1.757 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.95 -39.77 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 7.1 mt -56.36 -58.63 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.0 -42.93 50.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -47.99 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.688 HG13 HG11 ' A' ' 53' ' ' VAL . 3.9 mt -44.23 -54.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.925 HD13 HD12 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -51.52 -58.15 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -43.05 -27.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.51 ' O ' HD12 ' A' ' 76' ' ' ILE . 75.1 m-20 -116.63 47.79 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pttp -95.98 1.08 52.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.87 -41.35 6.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HD3' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -75.61 -37.48 59.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 72' ' ' ASN . 11.2 mt -43.65 144.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 16.1 tttt -150.61 153.94 36.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.655 ' C ' HD13 ' A' ' 79' ' ' ILE . 5.1 m-85 -114.17 128.97 56.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.79 HG21 ' OH ' ' A' ' 45' ' ' TYR . 3.2 mm -101.83 138.38 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -139.16 111.34 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -100.29 -10.71 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -145.79 78.72 11.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.92 20.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.789 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.75 -38.55 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.58 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.408 ' C ' HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -80.66 -36.37 32.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -50.75 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.6 m -46.37 -44.04 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.42 -57.98 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 86' ' ' PHE . 3.3 mt -47.83 -41.73 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.502 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -56.5 -50.8 70.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mttt -38.16 -56.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -47.64 84.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.63 -71.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG12 ' CE2' ' A' ' 16' ' ' PHE . 53.1 t -42.77 -41.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.87 -53.72 44.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -64.08 -44.08 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.9 tp -41.52 -65.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.783 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.1 m-85 -51.14 -63.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HA ' HG23 ' A' ' 32' ' ' VAL . 6.6 m-80 -40.69 -60.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -50.91 -62.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.5 mmtt -40.3 -52.37 2.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.507 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -43.64 -65.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.298 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' LEU . . . -50.39 -28.05 13.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.18 -40.48 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.15 -46.31 82.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 86' ' ' PHE . 2.8 mm? -71.09 -16.78 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.38 57.8 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.442 HD13 HE21 ' A' ' 28' ' ' GLN . 28.5 mt -127.29 168.92 14.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.61 13.71 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.442 HE21 HD13 ' A' ' 26' ' ' LEU . 3.5 pt20 -126.23 -177.91 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -96.12 157.48 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' LYS . 17.0 t -148.29 121.77 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -39.89 133.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 16' ' ' PHE . 44.4 t -82.18 114.04 48.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.715 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.96 61.12 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -39.21 -41.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.65 -51.78 45.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 33' ' ' PRO . 7.0 mp -50.73 -45.38 58.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -72.8 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.8 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -35.27 76.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -123.63 73.98 53.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -26.91 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.92 47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 51.2 m-20 -169.75 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.666 ' CE2' HD23 ' A' ' 36' ' ' LEU . 37.0 m-85 -120.33 117.56 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.606 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 29.0 p90 -158.14 155.12 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 64.3 t -109.38 133.7 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mt-10 -117.35 138.42 51.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.35 -25.69 5.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.7 mt -43.82 152.71 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.59 38.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.18 139.21 36.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.65 6.1 65.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.774 HG11 HG13 ' A' ' 69' ' ' ILE . 35.2 t -126.14 95.06 39.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.06 3.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.3 t80 -90.33 37.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.86 -178.59 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -68.66 149.91 97.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -46.13 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.0 p -69.26 61.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.13 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 14.6 m-85 -55.33 161.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.65 -179.62 8.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 mt -70.79 -44.94 16.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -48.75 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -41.29 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 8.5 mt -55.74 -59.11 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.06 -43.83 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -47.66 -64.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.774 HG13 HG11 ' A' ' 53' ' ' VAL . 5.9 mt -39.92 -53.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 8' ' ' LEU . 2.0 mt -55.06 -56.93 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -38.72 -37.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -107.89 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -86.53 -13.21 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.55 -39.92 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -69.04 -35.06 76.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.52 143.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.4 tttp -150.9 135.36 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 10.5 m-85 -95.96 128.35 42.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.606 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 11.8 mm -111.81 131.15 63.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.428 HG23 ' CE1' ' A' ' 44' ' ' PHE . 1.5 mt -128.01 111.59 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -92.1 -23.73 19.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 13.6 mttm -128.55 72.96 80.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.52 20.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -71.35 -13.38 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mmm -96.97 -25.61 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.541 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.1 m-85 -66.76 -26.69 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -41.75 -61.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.2 m -49.32 -32.11 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -76.52 -45.25 31.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 87' ' ' GLU . 28.6 mt -56.94 -31.96 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.524 HD22 ' CD1' ' A' ' 70' ' ' LEU . 15.9 mt -42.96 -59.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 66' ' ' LEU . 8.2 mttt -42.26 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -51.76 63.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.74 -58.14 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.62 HG12 ' CE2' ' A' ' 16' ' ' PHE . 98.5 t -58.68 -27.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.75 -69.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -52.27 -34.83 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.17 -58.82 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.3 m-85 -57.03 -48.52 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.628 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 5.4 m-80 -52.81 -61.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -59.37 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.64 -44.41 26.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 1.015 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -43.82 -71.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.66 -43.69 8.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -35.92 68.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.53 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -60.08 -55.53 32.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 90' ' ' ILE . 1.9 mp -70.75 -13.52 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.59 62.33 1.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.493 HD12 HG21 ' A' ' 30' ' ' VAL . 73.5 mt -123.78 164.48 19.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -101.44 9.47 41.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -131.23 -175.56 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -93.71 164.07 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG21 HD12 ' A' ' 26' ' ' LEU . 26.6 t -151.68 119.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 115.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.015 HG22 ' SG ' ' A' ' 20' ' ' CYS . 59.7 t -75.63 116.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 72.38 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -45.29 -23.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.38 -49.82 31.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.0 mt -49.06 -37.04 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 75.3 m-85 -75.73 -31.53 59.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.44 -36.19 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -46.0 10.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -124.08 73.1 56.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.96 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.48 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.13 -51.0 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.518 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.0 m-85 -107.78 128.78 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.91 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 25.3 p90 -168.53 154.63 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.601 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 33.2 t -110.89 137.72 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.6 mm-40 -114.29 166.47 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.8 -29.97 9.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.4 mt -40.62 152.3 0.24 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 176.33 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.843 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.4 tt0 -69.09 148.76 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.34 25.21 8.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 51' ' ' GLU . 60.4 t -130.9 96.32 23.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 179.84 5.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 10.2 t80 -96.42 38.43 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -77.93 -173.25 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 151.49 70.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -26.04 11.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.7 p -73.33 57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.961 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.53 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.622 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -100.13 -177.45 30.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.4 mt -69.4 -45.14 27.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.98 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.524 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -49.19 -31.11 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 62' ' ' GLY . 11.5 mt -65.52 -48.84 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG2' HD21 ' A' ' 8' ' ' LEU . 2.2 mm-40 -65.78 -39.87 91.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -45.5 -43.63 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.663 HG13 HG11 ' A' ' 53' ' ' VAL . 4.3 mt -65.98 -59.33 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.524 ' CD1' HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -40.38 -51.78 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.2 mtm180 -37.75 -41.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -117.06 53.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -79.14 -39.61 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.78 -46.36 37.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -53.93 -47.1 71.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.469 HG23 ' CG1' ' A' ' 46' ' ' VAL . 13.3 mt -42.39 151.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 139.7 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -101.09 134.01 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.91 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 18.6 mm -111.6 125.26 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.53 HG13 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -126.1 111.25 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -99.44 -14.63 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -139.56 77.2 28.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.82 17.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.18 -34.98 25.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 92.6 mtp -74.61 -9.77 58.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -83.87 -24.72 30.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -38.46 -43.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 m -52.61 -52.46 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.04 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.478 HD11 HD22 ' A' ' 24' ' ' LEU . 72.1 mt -41.54 -42.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.507 HD22 HD13 ' A' ' 70' ' ' LEU . 82.9 mt -40.95 -53.37 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -44.23 -61.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -45.37 82.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.38 -68.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.599 HG12 ' CE2' ' A' ' 16' ' ' PHE . 58.6 t -47.09 -26.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -68.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.68 -33.37 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.1 tp -50.84 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' A' ' 32' ' ' VAL . 25.5 m-85 -44.98 -53.0 8.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.752 ' HA ' HG23 ' A' ' 32' ' ' VAL . 2.8 m120 -51.73 -67.14 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -55.38 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE3' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -47.43 -53.57 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.48 -61.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.44 -43.12 27.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -42.19 80.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.32 -56.18 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.59 -14.92 63.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 71.41 1.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 30' ' ' VAL . 93.2 mt -129.03 160.42 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -96.51 5.8 50.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -131.11 -178.29 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.96 158.81 15.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 26' ' ' LEU . 15.5 t -139.55 120.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -43.51 117.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 17' ' ' ASN . 64.0 t -65.57 112.63 9.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 63.38 6.05 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -41.66 -38.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.21 69.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' O ' ' A' ' 85' ' ' MET . 21.9 mt -53.24 -46.28 69.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 88.4 m-85 -70.63 -18.69 62.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.97 -45.19 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -83.4 -37.53 23.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE2' ' CE ' ' A' ' 85' ' ' MET . 43.0 m-85 -126.4 73.23 73.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.98 -32.69 5.19 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.18 -36.23 83.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.17 -45.29 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.512 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 23.2 m-85 -116.53 124.5 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.763 ' OH ' HG21 ' A' ' 79' ' ' ILE . 37.2 p90 -161.0 151.91 18.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 55' ' ' PHE . 22.0 t -99.58 147.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.7 mm-40 -130.41 -174.25 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.87 27.32 66.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 55' ' ' PHE . 10.2 mt -80.38 154.87 74.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.549 ' O ' HG23 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.95 141.18 26.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 35.54 -146.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.55 33.07 3.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 50' ' ' PRO . 79.2 t -70.35 113.28 16.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.98 122.28 7.11 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.587 ' HB2' HD11 ' A' ' 49' ' ' LEU . 8.9 t80 -49.54 91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -126.34 -175.31 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -74.42 150.93 87.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -20.24 17.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.2 p -85.4 57.47 4.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -172.81 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.7 m-85 -54.66 -178.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.608 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -96.49 -177.1 35.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.2 mt -66.97 -45.12 53.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -30.79 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 62' ' ' GLY . 11.1 mt -66.52 -53.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.62 -38.94 75.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.233 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -48.09 -48.77 33.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.97 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.507 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -55.88 -56.65 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -40.13 -35.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -110.38 51.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.6 -6.52 59.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.72 -35.71 5.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -70.03 -37.18 75.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.402 HG22 ' HE3' ' A' ' 19' ' ' LYS . 42.8 mt -54.59 148.0 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -150.69 143.28 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.685 ' C ' HD13 ' A' ' 79' ' ' ILE . 11.0 m-85 -107.27 127.93 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.763 HG21 ' OH ' ' A' ' 45' ' ' TYR . 2.6 mm -100.92 137.34 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -137.43 111.49 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -101.18 -9.38 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -144.48 77.09 14.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.49 20.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.08 -22.88 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.528 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.4 mmm -95.94 -1.38 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.73 -31.37 17.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 90' ' ' ILE . 17.5 pt-20 -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 1.7 m -42.99 -36.44 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 -47.24 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 87' ' ' GLU . 12.5 mt -53.58 -32.3 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 70' ' ' LEU . 67.8 mt -40.78 -64.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.53 -61.73 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.72 -54.01 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -46.34 -58.46 3.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.73 HG12 ' CE2' ' A' ' 16' ' ' PHE . 41.6 t -56.98 -49.45 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -42.9 -50.39 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -49.03 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.0 tp -40.99 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.807 ' HB3' HG21 ' A' ' 32' ' ' VAL . 20.5 m-85 -43.31 -56.93 3.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.817 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -51.33 -51.09 57.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -50.3 -52.64 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 16.9 mmtt -55.17 -44.63 75.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 12.0 t -41.65 -69.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.245 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.45 40.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -40.52 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -53.32 -57.32 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.27 -14.65 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.23 70.71 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.25 166.82 16.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -98.68 12.26 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -138.28 177.87 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -92.93 167.06 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 40.4 t -149.53 123.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -42.4 124.94 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 16' ' ' PHE . 74.2 t -66.97 113.03 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' PRO . 56.5 m-85 -34.27 -35.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.62 -57.43 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 15.5 mt -47.78 -36.44 11.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -80.87 -25.68 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -73.48 -47.27 42.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 14.3 m -82.95 -41.8 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -122.84 74.8 47.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.64 -38.96 7.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -77.7 -47.7 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 45.4 m-85 -116.24 119.34 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.739 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 50.3 p90 -156.73 151.6 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.835 HG21 ' CE1' ' A' ' 55' ' ' PHE . 69.3 t -102.33 138.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.2 mt-10 -119.91 176.06 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.62 -29.1 6.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.0 mt -39.91 150.6 0.25 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.39 13.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -42.7 130.35 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.05 -19.41 52.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.7 HG11 HG13 ' A' ' 69' ' ' ILE . 87.9 t -102.29 110.0 61.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.835 ' CE1' HG21 ' A' ' 46' ' ' VAL . 37.4 t80 -98.5 37.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -71.38 -178.88 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -71.69 151.41 93.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.65 4.38 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -74.28 57.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -171.16 -44.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -50.9 177.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.57 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -93.12 -176.98 40.71 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.2 mt -69.27 -45.18 28.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -38.07 39.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 62' ' ' GLY . 9.2 mt -57.73 -49.63 75.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -46.0 -40.09 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.7 HG13 HG11 ' A' ' 53' ' ' VAL . 5.0 mt -73.87 -55.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -45.43 -49.89 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -38.81 -43.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.434 ' O ' HD12 ' A' ' 76' ' ' ILE . 90.7 m-20 -108.94 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.1 -11.92 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.29 -30.03 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -76.58 -34.5 58.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 72' ' ' ASN . 19.9 mt -51.72 145.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 145.58 26.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' HG22 ' A' ' 46' ' ' VAL . 3.3 m-85 -107.97 124.29 49.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.739 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 3.8 mm -93.61 132.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.587 HG13 ' HB1' ' A' ' 23' ' ' ALA . 3.3 mm -131.76 111.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -95.52 -28.82 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.22 82.13 66.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.33 -16.07 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.6 mtp -93.57 -8.95 39.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -86.12 -28.05 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -52.05 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 m -48.76 -40.13 27.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -67.25 -54.9 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -39.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.567 HD22 HD13 ' A' ' 70' ' ' LEU . 79.1 mt -40.22 -54.51 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -57.03 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.74 -47.78 79.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HD3' HD23 ' A' ' 8' ' ' LEU . 11.4 mttt -52.02 -63.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.592 HG12 ' HB3' ' A' ' 58' ' ' PRO . 53.4 t -54.01 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -52.33 -53.34 45.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -63.81 -44.03 94.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.6 tp -41.42 -65.97 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.45 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.4 m-85 -51.68 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -40.82 -54.84 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -59.42 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -48.01 -39.07 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -43.47 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.311 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.89 36.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -39.35 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -53.35 -57.78 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.408 ' CD2' HD11 ' A' ' 90' ' ' ILE . 1.6 mp -72.48 -13.88 61.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 65.31 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.0 mt -120.37 162.88 18.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -95.94 6.81 47.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -130.18 -175.21 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' C ' HG23 ' A' ' 30' ' ' VAL . . . -96.48 168.37 10.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.42 HG23 ' C ' ' A' ' 29' ' ' ALA . 38.2 t -151.88 124.78 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 143.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 16' ' ' PHE . 49.2 t -95.0 111.38 54.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.3 Cg_endo -75.03 62.3 5.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -38.95 -44.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -48.23 -54.93 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.794 HD23 ' CE2' ' A' ' 44' ' ' PHE . 6.8 mp -48.55 -49.12 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.2 -14.31 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' ALA . 1.1 mm-40 -95.96 -55.93 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -72.27 -30.95 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.462 ' CE2' ' CE ' ' A' ' 85' ' ' MET . 21.0 m-85 -128.97 67.79 78.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.2 17.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -165.43 -45.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.794 ' CE2' HD23 ' A' ' 36' ' ' LEU . 25.3 m-85 -111.72 108.06 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 6.6 p90 -145.58 162.64 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.533 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 79.9 t -115.37 126.88 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.4 mm-40 -107.32 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.07 -27.68 8.06 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 18.8 mt -39.95 154.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -47.83 123.33 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.6 5.81 53.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.61 95.83 37.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.97 6.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.1 t80 -38.33 108.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 12.2 mmt180 -140.58 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.33 152.47 91.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -47.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 p -69.29 61.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -173.53 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.5 m-85 -57.76 144.16 39.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.92 168.85 9.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.642 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 32.5 mt -57.71 -43.92 99.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 61' ' ' PHE . 5.2 ttp180 -48.6 -42.09 32.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD2' HG21 ' A' ' 12' ' ' VAL . 11.0 mt -55.6 -52.86 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.1 -44.7 87.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -43.14 -45.87 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 76' ' ' ILE . 3.4 mt -67.07 -52.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.567 HD13 HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -52.21 -40.86 62.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.29 -20.98 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -130.8 49.94 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -45.13 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.76 -45.29 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -54.43 -48.24 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.871 HD11 HG23 ' A' ' 69' ' ' ILE . 28.9 mt -46.35 141.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' GLU . 22.2 tttt -150.74 132.16 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -90.94 135.53 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.847 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 29.1 mm -114.66 132.86 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.37 110.99 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -100.0 -0.51 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 32.1 mttt -148.67 71.89 10.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.49 16.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.435 1.755 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.06 -22.0 62.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.462 ' CE ' ' CE2' ' A' ' 40' ' ' PHE . 1.4 mmm -96.39 -10.92 26.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -84.08 -29.61 26.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.13 -50.37 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 m -50.35 -44.69 54.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -41.84 78.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.408 HD11 ' CD2' ' A' ' 24' ' ' LEU . 62.9 mt -62.1 -29.27 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.6 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -39.82 -49.66 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' LEU . 4.4 mttt -39.43 -59.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -50.24 70.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -71.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG12 ' CE2' ' A' ' 16' ' ' PHE . 59.3 t -42.48 -40.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.91 -54.56 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -63.92 -43.36 96.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.8 tp -41.59 -66.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.0 m-30 -49.69 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 8.1 m-80 -41.35 -41.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -64.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 6.8 mmtt -44.85 -43.03 8.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HB2' HG22 ' A' ' 32' ' ' VAL . 54.0 t -42.59 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -38.39 30.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -49.21 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.8 61.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' N ' HD22 ' A' ' 24' ' ' LEU . 2.1 mm? -62.91 -19.72 64.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.45 34.57 7.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.408 HD12 HG21 ' A' ' 30' ' ' VAL . 72.3 mt -101.8 166.4 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 8.49 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.07 -176.1 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -91.58 162.36 14.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.408 HG21 HD12 ' A' ' 26' ' ' LEU . 57.7 t -148.43 126.06 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.37 121.94 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.502 HG22 ' HB2' ' A' ' 20' ' ' CYS . 63.4 t -75.07 114.54 36.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.749 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.04 63.78 6.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -43.88 -54.39 5.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.94 HD23 ' CE2' ' A' ' 44' ' ' PHE . 5.8 mp -48.34 -51.51 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.18 -13.04 32.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -98.75 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 38.2 m -68.0 -34.77 77.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' LEU . 39.8 m-85 -125.58 71.5 66.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.34 13.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 45.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -167.42 -48.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.94 ' CE2' HD23 ' A' ' 36' ' ' LEU . 39.6 m-85 -109.24 133.49 52.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.617 ' CE1' HG21 ' A' ' 79' ' ' ILE . 7.9 p90 -177.89 149.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.537 ' CG1' HG23 ' A' ' 76' ' ' ILE . 68.1 t -99.25 143.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.1 mm-40 -122.79 141.87 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.81 -23.95 9.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.1 mt -42.83 153.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 151.22 39.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -54.68 139.12 39.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.71 9.43 65.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.74 HG11 HG13 ' A' ' 69' ' ' ILE . 47.0 t -128.68 96.36 30.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -171.46 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.0 t80 -99.28 34.98 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.01 178.88 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 144.71 87.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.402 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.06 -16.04 20.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -93.28 51.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.93 -46.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -49.94 174.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.2 -178.27 51.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 10.5 mt -69.13 -44.47 27.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -51.42 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD3' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.94 -39.46 12.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 17.7 mt -56.6 -57.68 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.77 -43.02 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -50.43 -61.56 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.74 HG13 HG11 ' A' ' 53' ' ' VAL . 4.4 mt -40.91 -47.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -63.61 -54.56 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -40.81 -30.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 70' ' ' LEU . 72.5 m-20 -118.7 56.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -84.5 -48.49 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 73' ' ' LYS . . . -61.96 -43.23 99.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -46.06 91.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.537 HG23 ' CG1' ' A' ' 46' ' ' VAL . 14.1 mt -48.91 146.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.5 tttp -150.97 136.23 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 5.5 m-85 -92.27 129.76 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.617 HG21 ' CE1' ' A' ' 45' ' ' TYR . 17.2 mm -111.87 133.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.4 HD13 ' CZ ' ' A' ' 86' ' ' PHE . 1.7 mt -136.71 116.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.51 -5.34 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 30.3 mttt -142.67 72.47 20.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.39 21.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -24.71 66.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.448 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 87.5 mtp -87.15 -30.31 21.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.485 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 2.0 m-85 -64.98 -35.58 81.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.3 mt-10 -41.0 -54.44 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.2 m -45.64 -48.31 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.31 -58.63 7.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 87' ' ' GLU . 3.9 mt -48.15 -44.28 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mttp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.7 mt -40.77 -48.72 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -49.02 -63.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.83 68.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -62.23 -61.88 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.433 HG12 ' CE2' ' A' ' 16' ' ' PHE . 90.3 t -56.31 -32.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.71 -48.54 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -67.93 -38.31 82.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 12' ' ' VAL . 2.4 tp -46.46 -68.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HB3' HG21 ' A' ' 32' ' ' VAL . 21.4 m-30 -49.1 -60.78 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.0 m-80 -42.9 -59.18 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.9 -48.11 5.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -36.35 26.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.86 -45.37 94.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.73 -51.24 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.0 mm? -63.22 -22.22 66.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 35.72 5.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -104.85 169.68 8.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.65 10.54 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -124.82 -177.82 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.534 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -92.39 153.3 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' LYS . 38.6 t -141.22 124.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -39.75 157.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 16' ' ' PHE . 38.9 t -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.764 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.95 63.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.416 1.745 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -41.45 -44.01 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.33 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.881 HD23 ' CE2' ' A' ' 44' ' ' PHE . 6.3 mp -50.67 -51.21 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -65.86 -9.78 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -99.39 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 2.0 m -72.93 -26.27 61.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.492 ' CE2' ' HE3' ' A' ' 85' ' ' MET . 24.3 m-85 -131.32 68.94 81.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -26.56 10.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -85.97 45.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -167.84 -42.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.881 ' CE2' HD23 ' A' ' 36' ' ' LEU . 38.7 m-85 -115.54 133.4 56.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.767 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 7.7 p90 -176.18 156.11 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.8 t -107.3 139.38 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 0.5 OUTLIER -116.38 169.98 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.01 -16.11 49.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 55' ' ' PHE . 28.1 mt -40.3 155.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.98 143.28 28.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.3 tt0 34.49 -146.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.89 32.58 3.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 50' ' ' PRO . 60.5 t -70.24 113.09 15.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.0 122.34 7.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.56 ' HB2' HD11 ' A' ' 49' ' ' LEU . 62.6 t80 -50.56 90.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' PRO . 1.7 mmm-85 -122.93 -174.25 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -70.88 143.9 89.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.81 21.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.3 t -89.8 50.25 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -167.04 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 7.7 m-85 -51.01 -179.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.6 172.16 27.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 37.2 mt -58.5 -44.01 98.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.553 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -47.76 -35.7 10.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.25 -54.22 43.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.43 -42.41 82.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.57 -51.64 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 76' ' ' ILE . 3.6 mt -57.47 -59.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.1 -57.24 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.64 -41.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -112.01 54.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -77.48 -49.27 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -45.31 79.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -55.26 -48.93 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 69' ' ' ILE . 11.7 mt -43.04 150.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -150.19 137.75 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.685 ' C ' HD12 ' A' ' 79' ' ' ILE . 5.7 m-85 -101.47 130.82 47.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -109.77 136.49 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.5 HD13 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -138.63 112.8 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -93.56 -27.2 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 23.4 mttp -123.81 75.79 56.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.09 16.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -23.54 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.492 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 80.5 mtp -88.27 -29.01 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' HD13 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -65.43 -36.03 82.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -46.64 -49.82 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -48.25 -38.16 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.76 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 87' ' ' GLU . 3.5 mt -49.34 -41.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 43.0 mt -49.12 -52.75 24.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -36.9 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -70.56 -68.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.69 HG12 ' CE2' ' A' ' 16' ' ' PHE . 57.9 t -48.29 -24.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -65.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -57.31 -32.15 66.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -50.81 -65.13 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.69 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.6 m-85 -53.21 -56.44 16.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.062 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.7 m-80 -48.06 -37.41 15.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 3.6 mmtt -53.16 -28.19 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.817 ' SG ' HG22 ' A' ' 32' ' ' VAL . 11.0 t -52.96 -71.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.534 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -50.6 -42.54 44.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -55.09 -56.23 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 90' ' ' ILE . 2.2 mp -64.03 -12.94 43.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 48.72 2.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -124.54 165.45 17.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -106.36 17.74 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -120.51 176.11 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -99.43 160.09 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 21' ' ' GLY . 1.3 p -163.42 124.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' VAL . 4.0 ttmt -38.43 155.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.817 HG22 ' SG ' ' A' ' 20' ' ' CYS . 67.5 t -117.88 123.34 29.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.797 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.0 66.86 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -41.02 -27.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 33' ' ' PRO . . . -63.22 -52.78 60.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.036 HD23 ' CE2' ' A' ' 44' ' ' PHE . 4.5 mp -49.81 -43.25 48.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.59 -15.84 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -97.48 -53.41 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -71.77 -31.79 66.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 22.6 m-85 -128.14 69.98 78.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -22.08 15.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.18 40.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -165.99 -44.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 1.036 ' CE2' HD23 ' A' ' 36' ' ' LEU . 30.6 m-85 -114.52 116.16 28.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.829 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 44.1 p90 -159.2 150.48 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.7 t -108.8 131.11 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -104.22 167.14 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.76 -33.86 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.481 HD23 HD11 ' A' ' 76' ' ' ILE . 23.1 mt -40.67 152.34 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.29 12.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.3 132.07 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.35 -16.29 56.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.837 HG11 HG13 ' A' ' 69' ' ' ILE . 48.6 t -107.14 103.86 49.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -174.0 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CE1' HG21 ' A' ' 46' ' ' VAL . 57.9 t80 -102.53 43.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -171.7 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 147.32 68.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -85.06 57.99 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.48 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 10.2 m-85 -59.23 -176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.69 168.73 20.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 57.9 mt -57.72 -43.97 99.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.512 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm-85 -49.49 -33.89 15.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.06 -55.77 28.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -40.77 77.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -44.3 -40.12 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.837 HG13 HG11 ' A' ' 53' ' ' VAL . 4.5 mt -70.14 -58.2 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.96 -51.76 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -40.07 -38.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' HD12 ' A' ' 76' ' ' ILE . 59.4 m-20 -112.37 55.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -25.31 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.97 -37.22 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.25 -45.15 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.481 HD11 HD23 ' A' ' 49' ' ' LEU . 7.9 mt -40.89 146.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' GLU . 28.6 tttt -149.45 130.6 14.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 3.4 m-85 -90.47 138.47 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.829 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 13.6 mm -120.61 132.91 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -136.99 111.63 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -100.49 -1.06 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 18.6 mttt -148.38 78.1 9.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.95 -26.72 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -56.75 -26.53 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.9 mmm -90.81 -12.14 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -86.3 -29.49 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.36 -50.54 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -51.03 -41.06 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -70.83 -49.94 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.51 HD11 HD21 ' A' ' 24' ' ' LEU . 5.2 mt -56.34 -37.14 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mttt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 70' ' ' LEU . 1.4 mm? -48.65 -53.0 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.1 mtmt -38.43 -58.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -57.61 11.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -66.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG12 ' CE2' ' A' ' 16' ' ' PHE . 71.2 t -48.17 -45.19 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.9 mm-40 -52.44 -67.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.22 -42.5 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.8 tp -41.82 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' A' ' 12' ' ' VAL . 20.6 m-85 -46.98 -58.89 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -44.96 -49.98 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -56.56 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmmt -51.57 -46.61 63.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 9.0 t -41.57 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.581 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -52.83 -45.39 61.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -34.35 53.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -54.78 -56.32 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 90' ' ' ILE . 2.1 mp -63.96 -12.77 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' O ' HD23 ' A' ' 26' ' ' LEU . . . 89.67 57.64 1.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 25' ' ' GLY . 26.6 mt -132.85 164.68 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.08 12.85 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.45 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 2.1 pm0 -111.01 171.88 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.6 140.18 42.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.581 HG12 ' CA ' ' A' ' 21' ' ' GLY . 0.5 OUTLIER -136.31 117.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -38.14 128.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 20' ' ' CYS . 20.8 t -71.31 113.75 21.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.497 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.03 77.07 3.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -53.25 -19.0 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -17.57 58.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD12 ' CG ' ' A' ' 33' ' ' PRO . 12.5 mt -86.24 -35.06 20.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 39.1 m-85 -78.58 -30.16 46.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 39' ' ' SER . 7.2 pt-20 -66.17 -47.31 74.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.52 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 3.8 m -80.88 -41.28 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.75 73.18 62.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 5.7 mt-10 -47.14 -46.77 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.456 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 28.3 m-20 -71.58 -62.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 35.4 m-85 -93.98 111.34 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.886 ' OH ' HG21 ' A' ' 79' ' ' ILE . 10.6 p90 -154.25 159.82 41.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.965 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.1 t -110.63 141.05 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.1 mt-10 -128.44 135.61 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 126.12 -24.36 5.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 10.6 mt -39.42 154.29 0.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.3 Cg_endo -75.03 160.99 39.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.788 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -57.17 145.63 30.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.2 17.3 23.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 51' ' ' GLU . 21.9 t -128.08 90.51 47.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 177.51 8.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.81 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.965 ' CE1' HG21 ' A' ' 46' ' ' VAL . 65.5 t80 -90.66 101.72 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 -175.98 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.76 152.6 95.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -41.42 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -73.71 64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.07 -42.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -53.41 148.91 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 171.76 6.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 38.7 mt -63.17 -44.18 83.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -46.54 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.558 1.82 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 6.2 mt -53.23 -55.08 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -42.83 83.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.76 -47.66 50.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.5 -59.91 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 8' ' ' LEU . 6.6 mt -44.95 -55.91 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 6.5 mtp-105 -41.33 -28.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 50' ' ' PRO . 91.5 m-20 -120.11 49.85 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.24 -2.89 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.52 -39.69 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.33 -43.02 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.528 HG23 ' CG1' ' A' ' 46' ' ' VAL . 44.2 mt -45.27 140.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' GLU . 12.9 tttp -150.71 128.7 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 4.8 m-85 -91.87 119.82 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.886 HG21 ' OH ' ' A' ' 45' ' ' TYR . 17.0 mm -94.1 123.54 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.545 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.4 mm -121.71 111.48 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.35 -30.23 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 8.2 mttt -118.87 80.37 17.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.26 5.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -62.99 -20.15 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.9 mmm -84.18 -24.54 30.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.503 ' CE1' ' CE1' ' A' ' 44' ' ' PHE . 2.8 m-85 -83.43 -22.84 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.11 -47.51 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -58.01 -39.27 77.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.669 HD11 HD13 ' A' ' 24' ' ' LEU . 81.7 mt -40.91 -39.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.537 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -47.78 -45.49 29.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.0 mttt -38.83 -62.03 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -63.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -44.09 -65.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.558 HG12 ' CE2' ' A' ' 16' ' ' PHE . 94.9 t -50.61 -50.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.6 mm-40 -47.73 -53.9 13.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -63.77 -46.32 85.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD12 ' HG2' ' A' ' 19' ' ' LYS . 2.7 tp -40.92 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.4 m-85 -43.81 -55.38 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.515 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.8 m-80 -52.67 -50.43 63.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -56.71 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.645 ' HG2' HD12 ' A' ' 15' ' ' LEU . 16.9 mmtt -45.89 -45.49 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.3 t -42.09 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.83 -45.87 18.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -43.2 62.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -53.53 -56.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 82.96 68.84 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 HG21 ' A' ' 30' ' ' VAL . 84.2 mt -126.86 161.98 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -93.77 -4.86 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.21 -175.61 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -94.54 161.7 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 26' ' ' LEU . 44.6 t -144.01 123.69 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 151.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.83 107.03 59.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.856 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 65.66 6.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -39.14 -36.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.01 58.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.869 HD23 ' CE2' ' A' ' 44' ' ' PHE . 5.0 mp -49.77 -46.86 51.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -67.15 -15.59 63.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.3 -56.58 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 67.1 m -71.33 -32.37 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.464 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 20.9 m-85 -125.73 72.71 68.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -27.68 9.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.425 1.75 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.83 46.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 52.9 m-20 -169.54 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.869 ' CE2' HD23 ' A' ' 36' ' ' LEU . 25.0 m-85 -120.22 120.4 36.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.857 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 39.5 p90 -162.67 152.05 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.8 t -103.52 146.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mm-40 -132.26 140.7 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.91 -27.1 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.517 HD11 ' HB2' ' A' ' 55' ' ' PHE . 8.0 mt -40.36 152.95 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.04 36.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 138.65 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.33 10.73 70.45 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 69' ' ' ILE . 25.1 t -130.62 94.87 28.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.3 t80 -88.89 36.48 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 2.6 mmm180 -68.75 -177.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 151.98 96.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.5 Cg_endo -74.93 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.029 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -68.82 63.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -173.84 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m-85 -55.58 153.12 8.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.64 177.67 6.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.7 mt -67.76 -44.41 42.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.35 -39.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 13.0 mt -58.2 -58.48 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -51.07 -40.16 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' ILE . 11.1 mtmt -50.52 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.615 HG13 HG11 ' A' ' 53' ' ' VAL . 6.3 mt -39.04 -56.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -48.22 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -39.02 -38.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -107.59 51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.8 ptpt -88.03 -29.44 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.16 57.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -65.07 -39.0 92.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.422 HD11 HG23 ' A' ' 69' ' ' ILE . 13.1 mt -51.26 143.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.7 ttpp -150.78 136.71 18.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.501 ' C ' HD13 ' A' ' 79' ' ' ILE . 4.6 m-85 -96.83 125.41 41.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.857 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.0 mm -105.54 134.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -134.88 111.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . 1.1 mttt -95.6 -21.78 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 29.8 mttt -128.02 73.76 79.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.07 17.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.31 -11.7 34.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.464 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 1.2 mmm -100.57 -26.29 13.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.7 m-85 -68.75 -36.37 78.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.96 -57.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.4 m -45.68 -40.0 8.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -68.85 -49.54 57.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.463 ' CG1' HG11 ' A' ' 30' ' ' VAL . 3.9 mt -59.12 -37.13 66.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mttt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -58.16 -44.92 88.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -39.09 -56.42 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -55.98 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.17 -62.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.574 HG12 ' CE2' ' A' ' 16' ' ' PHE . 96.6 t -54.96 -44.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -64.94 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -55.78 -46.03 78.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.4 tp -40.91 -69.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.6 m-30 -46.36 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -41.98 -66.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.98 -55.5 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmtt -46.03 -52.08 12.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.752 ' HB3' HG13 ' A' ' 30' ' ' VAL . 11.1 t -43.64 -59.24 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.566 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -57.98 -37.91 87.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -32.45 73.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -57.64 -46.36 84.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.2 mm? -67.21 -21.04 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 20.62 10.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.4 mt -99.04 170.77 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 0.794 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -112.55 18.99 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.17 -179.1 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.16 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.752 HG13 ' HB3' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -165.29 115.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -40.1 135.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 t -80.35 114.19 45.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -74.98 75.45 3.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -52.2 -19.96 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -21.88 56.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.1 mt -81.96 -34.22 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 72.1 m-85 -81.35 -32.04 33.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.5 pt-20 -68.39 -47.09 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -74.0 -42.69 60.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.94 71.42 68.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.6 10.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.63 -15.68 61.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.13 -48.36 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 58.6 m-85 -112.43 131.07 55.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 19.2 p90 -169.72 154.33 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.828 HG21 ' CE1' ' A' ' 55' ' ' PHE . 57.0 t -104.79 143.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.1 mt-10 -121.56 173.72 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.03 -23.5 17.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 50.7 mt -39.83 154.07 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.94 25.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.2 tt0 -63.2 147.21 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.45 18.94 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 51' ' ' GLU . 48.4 t -129.54 91.3 41.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.43 ' C ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 -173.94 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.828 ' CE1' HG21 ' A' ' 46' ' ' VAL . 41.0 t80 -99.35 96.2 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -139.37 178.55 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -50.1 144.57 10.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.0 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -58.28 -17.65 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -47.46 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -55.85 167.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -87.76 172.28 42.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.667 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.8 mm -59.17 -42.53 93.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -50.85 -31.47 17.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.48 HD21 ' O ' ' A' ' 58' ' ' PRO . 12.8 mt -62.83 -57.87 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -42.47 52.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -47.58 -55.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.456 HG13 HG11 ' A' ' 53' ' ' VAL . 4.3 mt -49.54 -57.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 8' ' ' LEU . 10.4 mt -42.9 -59.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -38.37 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 68.3 m-20 -121.57 54.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -85.42 -47.11 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.93 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 72' ' ' ASN . 9.9 mt -40.94 144.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' VAL . 7.2 tttt -150.39 152.52 34.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.652 ' C ' HD12 ' A' ' 79' ' ' ILE . 4.7 m-85 -113.22 130.18 56.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.847 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.3 mp -105.73 118.21 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.622 HG13 ' HB1' ' A' ' 23' ' ' ALA . 2.5 mm -115.65 112.15 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -90.22 -39.14 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -119.43 83.02 25.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.14 4.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.37 -27.47 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 mmm -82.93 -13.75 55.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -93.97 -20.12 20.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -47.65 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -54.31 -28.03 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -80.85 -50.04 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.509 HD11 ' HG ' ' A' ' 24' ' ' LEU . 2.8 mp -56.83 -37.15 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.42 101.93 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -160.33 -65.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.41 -146.89 17.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 p -57.95 -177.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.47 -64.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.29 -55.27 16.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.6 mt -41.39 -56.52 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -53.29 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -47.65 83.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -52.3 -59.92 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.757 HG12 ' CE2' ' A' ' 16' ' ' PHE . 46.7 t -54.98 -31.0 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -65.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -52.83 -40.87 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 HG13 ' A' ' 12' ' ' VAL . 2.1 tp -45.7 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.776 ' HB3' HG21 ' A' ' 32' ' ' VAL . 23.0 m-85 -53.44 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.608 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.6 m120 -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -62.76 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.9 mmtt -41.08 -47.27 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -48.65 -67.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 108.302 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.53 -46.78 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -31.64 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -60.6 -43.61 97.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD21 ' CD2' ' A' ' 86' ' ' PHE . 3.0 mm? -75.98 -15.68 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.92 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.11 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.88 169.82 9.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -112.13 12.95 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -127.72 -177.4 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.608 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -96.36 148.47 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 31' ' ' LYS . 20.9 t -139.26 121.6 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -39.74 122.42 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.776 HG21 ' HB3' ' A' ' 16' ' ' PHE . 55.7 t -64.19 112.17 7.04 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -38.0 -38.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.6 -48.95 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' PRO . 18.3 mt -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 87.5 m-85 -81.04 -22.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.07 -37.32 22.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -85.59 -40.41 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -123.57 74.1 53.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.3 15.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.0 41.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -164.0 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.5 m-85 -115.82 134.26 55.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.748 ' OH ' HG21 ' A' ' 79' ' ' ILE . 20.3 p90 -173.75 150.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 55' ' ' PHE . 62.9 t -99.29 137.34 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 170.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.98 -24.08 20.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 55' ' ' PHE . 31.4 mt -42.61 151.41 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.0 167.53 26.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.911 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -61.05 147.84 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.12 24.29 9.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 51' ' ' GLU . 40.9 t -130.57 91.76 36.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.802 ' CE1' HG21 ' A' ' 46' ' ' VAL . 35.2 t80 -89.59 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -80.63 -178.19 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 144.48 90.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.75 21.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.458 1.767 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.5 p -89.12 48.97 1.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.05 -43.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.8 177.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.549 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -95.95 -177.23 36.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.9 mt -67.23 -45.48 50.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.447 1.762 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -49.83 -33.69 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 62' ' ' GLY . 10.3 mt -63.32 -50.83 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.42 -38.13 88.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -49.51 -38.57 30.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.611 HG13 HG11 ' A' ' 53' ' ' VAL . 4.1 mt -69.89 -62.81 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.27 -49.55 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -39.91 -40.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -112.45 53.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -83.62 -8.57 59.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.89 -26.32 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -80.41 -35.76 34.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 69' ' ' ILE . 26.2 mt -54.65 143.38 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.64 150.13 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' C ' HD12 ' A' ' 79' ' ' ILE . 7.2 m-85 -110.74 124.53 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.748 HG21 ' OH ' ' A' ' 45' ' ' TYR . 1.1 mp -102.92 119.05 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mm -116.36 111.68 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.24 -36.14 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.67 81.47 40.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.31 12.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.93 -18.62 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -92.7 -8.57 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -86.4 -34.54 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.02 -43.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.5 m -52.47 -46.09 66.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -64.01 -53.55 48.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 86' ' ' PHE . 3.1 mt -56.24 -32.71 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -76.5 -46.95 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.87 -53.5 57.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.63 141.86 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.3 m -110.87 -52.69 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 53.5 -164.89 2.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 57.99 4.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.1 t -179.7 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.43 94.42 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.23 95.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.91 141.99 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.4 -105.34 0.59 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 61.23 150.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.489 ' O ' HD22 ' A' ' 8' ' ' LEU . 89.7 p -166.66 177.35 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.17 -68.26 2.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -55.96 -50.75 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.2 mttt -38.91 -61.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -54.71 41.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CB ' HD11 ' A' ' 70' ' ' LEU . 2.0 mtpt -50.98 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 16' ' ' PHE . 86.3 t -43.53 -46.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.451 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 3.3 mm-40 -51.47 -47.94 63.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -67.93 -41.98 81.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.5 tp -45.97 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.736 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.3 m-85 -48.19 -64.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.669 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 5.6 m-80 -40.66 -64.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -61.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 8.1 mmmt -43.86 -40.97 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.7 t -43.87 -70.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.326 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.12 -45.52 81.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -40.48 14.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -52.7 -57.74 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.71 -14.47 62.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.51 69.92 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -126.77 164.01 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.66 -9.63 37.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -112.58 -175.06 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -100.96 170.71 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 9.3 t -150.63 119.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -40.19 121.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.736 HG21 ' HB3' ' A' ' 16' ' ' PHE . 55.8 t -65.54 112.81 9.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . 70.2 m-85 -35.74 -35.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -54.95 -53.91 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 33' ' ' PRO . 22.9 mt -51.41 -38.69 54.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 76.9 m-85 -79.36 -24.69 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' PHE . 5.1 mm-40 -79.41 -28.7 41.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -97.08 -39.0 9.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.488 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 22.9 m-85 -128.76 71.33 81.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -75.0 -27.85 9.66 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.05 -22.7 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.48 -37.16 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 43.3 m-85 -120.32 119.97 34.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.878 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 50.0 p90 -161.2 154.41 21.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.816 HG21 ' CE1' ' A' ' 55' ' ' PHE . 15.1 t -103.06 146.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -129.13 142.35 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.34 -20.31 9.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -48.91 151.28 2.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.82 141.05 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.15 10.61 59.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.711 HG11 HG13 ' A' ' 69' ' ' ILE . 41.7 t -127.98 95.4 34.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.54 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CE1' HG21 ' A' ' 46' ' ' VAL . 46.7 t80 -96.36 39.12 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -76.91 -178.82 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -62.14 150.5 83.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.06 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 p -72.51 58.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.43 -47.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -53.52 176.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -84.25 -177.31 51.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -68.53 -44.92 35.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -36.07 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.4 mt -60.11 -57.38 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.18 -45.73 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -44.37 -50.36 9.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.711 HG13 HG11 ' A' ' 53' ' ' VAL . 4.5 mt -54.07 -60.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 8' ' ' LEU . 5.2 mt -43.85 -58.22 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -39.15 -33.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -116.47 54.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.2 pttt -88.89 -13.67 38.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.62 -31.77 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -29.41 63.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.4 HG23 ' CG1' ' A' ' 46' ' ' VAL . 37.9 mt -61.47 147.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.5 tttt -150.68 148.44 28.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.56 ' C ' HD13 ' A' ' 79' ' ' ILE . 2.8 m-85 -103.4 127.27 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.878 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.2 mm -106.73 132.74 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.45 HG23 ' CE1' ' A' ' 44' ' ' PHE . 1.5 mt -138.51 111.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.5 -12.49 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.8 mttt -139.35 80.88 21.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -10.17 21.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.04 -19.4 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.488 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 92.8 mtp -93.06 -7.05 46.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.16 -34.11 16.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -48.76 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -48.83 -49.17 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.78 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mt -51.95 -32.03 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -86.48 -42.5 13.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -92.42 41.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.5 p -81.66 111.21 17.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 p -106.49 145.14 32.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.55 120.89 3.5 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 146.83 33.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.434 1.755 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.19 162.44 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m 50.38 80.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.18 80.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.94 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 m -96.65 157.93 15.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.28 -156.69 6.95 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -63.61 -53.21 55.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.031 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.63 -65.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -42.49 -72.12 0.32 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.065 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 70' ' ' LEU . 1.1 mm? -53.47 -49.66 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 48.4 mttt -38.32 -59.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.1 79.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.589 HG13 HG21 ' A' ' 69' ' ' ILE . 22.8 t -43.97 -37.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 7.3 mm-40 -58.89 -60.33 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.69 -36.07 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.6 tp -47.86 -70.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 32' ' ' VAL . 21.5 m-85 -45.83 -63.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.8 m120 -39.99 -63.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -54.55 9.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 12.3 mmtt -50.07 -54.83 17.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 41.7 t -42.14 -66.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.79 -42.99 7.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -35.39 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -58.72 -46.16 87.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.656 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.3 mm? -71.69 -14.45 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.6 28.41 12.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 HG21 ' A' ' 30' ' ' VAL . 58.9 mt -96.51 167.84 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 9.39 30.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -126.43 -178.09 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -88.5 156.71 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 26' ' ' LEU . 30.7 t -149.71 124.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 2.1 ttpt -40.91 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 16' ' ' PHE . 46.0 t -107.89 107.07 59.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.04 66.35 6.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -41.29 -27.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -66.46 -53.04 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -27.85 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -85.2 -26.73 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 39' ' ' SER . 2.7 pt-20 -84.04 -46.2 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 44.3 m -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -133.44 70.88 76.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 2.4 tt0 -86.97 44.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -172.17 -43.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 56.7 m-85 -110.77 125.68 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 10.9 p90 -170.87 155.29 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.74 HG21 ' CE1' ' A' ' 55' ' ' PHE . 78.3 t -104.13 145.46 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.2 mt-10 -127.43 169.51 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.61 -26.92 15.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 76' ' ' ILE . 31.7 mt -40.9 151.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.4 Cg_endo -75.07 127.88 10.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.51 131.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.79 -8.93 78.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.561 HG11 HG13 ' A' ' 69' ' ' ILE . 49.7 t -115.13 107.35 49.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -167.67 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.74 ' CE1' HG21 ' A' ' 46' ' ' VAL . 37.3 t80 -107.7 37.04 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 177.45 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -57.46 147.99 56.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.96 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -56.81 -18.02 11.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.16 -33.66 38.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 69' ' ' ILE . 16.9 m-85 -69.52 169.23 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.675 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -90.41 -174.43 44.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.9 mt -64.79 -45.7 75.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -57.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 1.3 ttm-85 -46.54 -33.14 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 62' ' ' GLY . 10.4 mt -64.63 -57.45 9.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -46.86 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -42.93 -51.99 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 61' ' ' PHE . 3.7 mt -52.07 -60.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 8' ' ' LEU . 7.4 mt -42.95 -56.47 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -38.54 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 76' ' ' ILE . 90.6 m-20 -119.4 57.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 74' ' ' ALA . 41.3 pttt -87.83 -49.82 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 73' ' ' LYS . . . -67.89 -37.74 82.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -64.51 -50.29 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 72' ' ' ASN . 8.6 mt -40.91 145.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -149.32 143.62 25.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.638 ' C ' HD12 ' A' ' 79' ' ' ILE . 5.2 m-85 -106.03 128.34 53.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.818 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -106.12 121.31 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.515 HG13 ' HB1' ' A' ' 23' ' ' ALA . 2.6 mm -122.21 111.49 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -90.7 -35.68 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 2.7 mmtt -117.63 80.57 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.762 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.27 -12.55 57.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.1 mmm -90.01 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.8 m-85 -82.26 -28.36 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 90' ' ' ILE . 1.0 OUTLIER -41.44 -40.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.2 m -59.82 -44.39 94.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -71.2 -38.93 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 24' ' ' LEU . 74.2 mt -59.22 -22.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -91.62 -60.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -41.41 -53.99 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -47.37 134.61 11.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.062 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 p -117.97 143.95 45.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.38 99.66 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -48.98 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 t -44.41 123.0 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.2 m 63.68 83.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -165.53 170.47 14.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -66.5 171.01 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 88.56 83.57 1.26 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.523 ' OG ' HD12 ' A' ' 8' ' ' LEU . 4.0 t -60.96 83.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.945 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' GLY . 79.5 p -64.4 169.43 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.53 -61.98 0.64 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD12 ' OG ' ' A' ' 5' ' ' SER . 81.6 mt -52.84 -56.1 18.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -44.94 -59.7 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.07 58.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -50.19 -57.35 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.518 HG12 ' CE2' ' A' ' 16' ' ' PHE . 90.7 t -58.77 -43.65 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -49.51 -48.72 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.65 -45.41 83.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.973 HD12 ' HD3' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -41.36 -61.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.862 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.4 m-85 -53.21 -37.9 62.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.704 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.1 m-80 -65.71 -51.14 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.81 -69.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.973 ' HD3' HD12 ' A' ' 15' ' ' LEU . 14.1 mptt -39.39 -48.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.59 ' HB2' HG22 ' A' ' 32' ' ' VAL . 7.9 t -48.4 -63.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.66 -32.79 32.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.31 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -58.57 -45.16 89.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.2 mm? -69.0 -19.18 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.06 37.43 4.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.408 HD13 HE21 ' A' ' 28' ' ' GLN . 37.7 mt -113.21 169.45 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -111.45 10.91 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.408 HE21 HD13 ' A' ' 26' ' ' LEU . 2.6 pm0 -118.81 178.87 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -93.33 146.02 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -137.86 126.45 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.67 121.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.862 HG21 ' HB3' ' A' ' 16' ' ' PHE . 76.5 t -68.39 113.13 13.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -75.01 72.94 4.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -51.08 -22.8 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.8 -28.06 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 36' ' ' LEU . 15.3 mt -76.1 -32.6 59.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 84.6 m-85 -83.76 -34.98 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.0 pt-20 -67.74 -47.41 69.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 1.9 m -74.52 -41.86 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -127.08 72.05 76.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -19.42 17.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.15 -22.0 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -95.3 -38.57 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 58.1 m-85 -123.46 135.95 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.873 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 25.1 p90 -171.32 156.57 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.558 HG23 ' CE2' ' A' ' 55' ' ' PHE . 74.8 t -107.65 145.63 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -123.65 175.5 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.99 -25.45 9.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.0 mt -42.68 149.95 0.45 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.96 159.61 41.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.9 pt-20 -57.3 144.36 36.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.85 14.85 46.55 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 51' ' ' GLU . 21.3 t -127.14 95.08 37.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 46' ' ' VAL . 7.2 t80 -97.85 34.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.91 -178.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -64.71 146.08 98.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.66 21.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.3 m -92.63 50.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.45 -43.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -47.27 158.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.07 164.68 54.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 93.0 mt -56.85 -44.35 99.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.97 -44.79 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -50.77 -40.99 56.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 5' ' ' SER . 8.8 mt -52.18 -50.4 61.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.1 -35.58 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -53.72 -40.32 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.649 HG13 HG11 ' A' ' 53' ' ' VAL . 4.9 mt -66.82 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -41.49 -49.98 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -39.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -112.82 54.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.9 pttt -91.32 0.3 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.89 -18.46 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -94.42 -28.8 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 18.9 mt -52.99 147.82 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.95 146.94 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.623 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 4.2 m-85 -111.41 123.08 49.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.873 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.2 mp -97.97 123.82 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.5 mm -123.29 111.58 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -89.26 -39.3 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -120.64 86.93 40.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.52 4.47 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.92 -17.87 11.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 94.2 mtp -86.64 -20.24 28.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.6 m-85 -82.24 -33.04 29.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.5 OUTLIER -40.3 -48.7 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 m -45.57 -53.19 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.39 -58.17 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 87' ' ' GLU . 6.2 mt -47.33 -42.59 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -71.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -41.77 -55.22 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.66 107.87 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.8 t -128.75 153.42 47.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 140.63 98.22 0.35 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 64.64 6.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.7 m -139.81 155.64 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -73.34 -60.82 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 p -151.17 148.79 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 0.0 109.978 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -155.12 88.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.2 -110.43 2.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.423 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 11.0 p 46.55 81.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.9 177.51 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.02 -84.19 1.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 70' ' ' LEU . 1.4 mm? -49.07 -49.65 40.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -38.47 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.39 -56.8 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -56.38 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 16' ' ' PHE . 24.0 t -56.99 -36.89 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.5 -67.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -56.3 -36.07 68.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.3 tp -46.48 -66.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.743 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.6 m-85 -50.77 -61.59 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.9 m120 -42.45 -61.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.68 -59.99 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 17.8 mmtt -47.49 -54.04 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -42.25 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.01 -41.67 11.07 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -34.74 78.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -62.07 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.772 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.3 mm? -76.58 -17.15 59.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.21 41.1 4.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -115.99 170.63 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.24 -12.14 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -98.94 -175.43 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -100.76 149.65 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' LYS . 51.0 t -136.86 125.86 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -40.24 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.743 HG21 ' HB3' ' A' ' 16' ' ' PHE . 41.7 t -105.36 107.27 58.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 64.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -39.14 -29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -66.18 -57.78 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 mt -46.92 -27.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' CA ' ' A' ' 41' ' ' PRO . 42.9 m-85 -84.37 -40.29 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 39' ' ' SER . 6.2 pt-20 -70.14 -47.37 61.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.518 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 5.8 m -70.72 -40.78 72.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.1 69.75 81.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.432 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.01 -25.44 11.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -1.2 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.43 -40.29 2.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -125.1 118.46 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.895 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 29.5 p90 -152.57 154.8 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.73 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 56.0 t -105.17 146.58 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -126.11 174.0 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -26.15 9.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.1 mt -40.78 150.04 0.31 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.59 24.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -52.01 126.18 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.57 70.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.445 HG11 HG13 ' A' ' 69' ' ' ILE . 90.0 t -122.79 101.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.73 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.1 t80 -85.88 56.8 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -179.9 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.4 146.31 91.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 p -82.23 52.46 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.5 -43.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.421 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 15.5 m-85 -52.62 175.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.552 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -90.48 -179.19 43.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 14.0 mt -67.42 -44.8 47.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.03 -52.73 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm180 -49.01 -34.79 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.6 mt -60.34 -56.65 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.64 -36.98 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -39.01 57.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.445 HG13 HG11 ' A' ' 53' ' ' VAL . 5.5 mt -66.42 -56.31 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 8' ' ' LEU . 6.1 mt -43.64 -49.94 7.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 mtp180 -38.4 -36.38 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.629 ' O ' HD12 ' A' ' 76' ' ' ILE . 79.4 m-20 -113.08 55.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.5 pttt -86.7 -24.39 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.89 -39.79 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.89 -43.41 96.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 72' ' ' ASN . 10.4 mt -43.56 139.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -150.4 140.77 22.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.695 ' C ' HD12 ' A' ' 79' ' ' ILE . 3.9 m-85 -103.66 138.2 40.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.895 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -110.3 122.59 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.0 mm -121.65 111.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -88.28 -36.55 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -127.34 90.94 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.85 10.57 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mmm -81.5 -11.09 59.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.3 m-85 -93.21 -34.31 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -39.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 m -55.35 -42.75 74.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -73.25 -44.32 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.772 HD11 ' HG ' ' A' ' 24' ' ' LEU . 32.1 mt -54.3 -28.29 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.43 -60.04 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.15 -52.99 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.63 -61.0 2.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -124.21 99.23 6.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.94 114.0 3.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 134.44 17.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.95 111.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -100.89 99.18 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -86.22 117.19 24.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.757 . . . . 0.0 110.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -74.77 120.46 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.73 -179.3 23.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 p -87.31 74.18 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.991 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -148.68 -60.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.9 -57.23 2.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 12' ' ' VAL . 48.5 mt -48.69 -50.47 33.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 20.4 mttt -53.23 -58.7 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -42.22 61.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 8' ' ' LEU . 52.2 t -61.64 -28.99 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 10.3 mm-40 -62.15 -57.14 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.5 tp -51.68 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.2 m-85 -45.01 -60.14 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -42.51 -66.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -62.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.5 mmtt -40.79 -51.06 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -42.55 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.18 -40.55 7.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -34.82 79.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.713 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -60.46 -43.27 97.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 86' ' ' PHE . 1.9 mm? -73.16 -13.12 61.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 37.4 6.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 mt -111.8 169.02 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -108.63 13.33 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -122.5 -179.41 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.74 156.18 17.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' LYS . 23.6 t -150.82 123.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.94 152.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -104.13 111.03 65.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.779 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.99 64.74 6.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -39.74 -34.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -57.57 -54.8 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.197 HD23 ' CE2' ' A' ' 44' ' ' PHE . 3.8 mp -46.66 -44.33 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -68.12 -24.71 65.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' ALA . 8.4 mm-40 -87.19 -57.91 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -68.78 -36.68 78.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 m-85 -126.07 71.02 68.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -25.96 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.72 44.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.76 -45.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 1.197 ' CE2' HD23 ' A' ' 36' ' ' LEU . 41.5 m-85 -115.71 115.79 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.878 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 49.7 p90 -158.29 150.67 22.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 78' ' ' PHE . 40.7 t -105.4 130.48 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.9 mt-10 -111.19 171.05 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.24 -31.28 7.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.5 mt -40.53 150.81 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 161.5 38.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -59.41 143.91 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.63 15.28 53.44 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 69' ' ' ILE . 59.7 t -128.99 92.43 39.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.0 t80 -92.42 38.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 mmm-85 -71.52 178.23 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -66.2 147.6 98.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.05 -39.5 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 m -73.11 58.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.26 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.93 178.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -93.03 173.64 34.86 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.463 1.102 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 28.5 mt -61.65 -44.33 91.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.93 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -34.23 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.9 mt -60.33 -54.84 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.28 -36.63 75.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.77 -41.01 61.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.674 HG13 HG11 ' A' ' 53' ' ' VAL . 6.1 mt -70.59 -59.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -43.82 -47.29 8.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -42.42 -42.97 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -109.16 53.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -86.43 -8.41 57.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.65 -27.71 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -79.63 -35.15 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.48 HG23 ' CG1' ' A' ' 46' ' ' VAL . 33.2 mt -53.12 147.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -150.07 146.39 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.713 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 4.9 m-85 -107.85 119.73 40.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.878 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 4.1 mm -94.42 127.62 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 86' ' ' PHE . 2.4 mm -128.61 111.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -99.02 -17.74 18.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 24.8 mttt -131.19 80.97 67.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.89 10.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.49 -30.56 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.0 mmm -78.35 -21.48 49.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.531 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.6 m-85 -78.77 -28.69 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -44.88 10.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -55.5 -41.28 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.74 66.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.76 -27.23 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -62.61 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -86.63 44.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.7 p -64.92 115.16 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t -96.41 -38.38 10.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.12 -147.49 30.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' SER . 18.3 Cg_endo -74.99 97.61 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.57 -82.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' PRO . 10.8 t -137.24 139.62 41.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -165.45 75.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -75.24 96.44 3.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' HA3' HD11 ' A' ' 63' ' ' ILE . . . -136.28 -80.97 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.87 171.46 13.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -157.77 -46.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.52 -57.5 11.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 12' ' ' VAL . 84.1 mt -40.7 -55.34 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLU . 7.7 mttt -44.2 -59.74 2.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -49.45 60.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -57.7 -44.22 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 8' ' ' LEU . 48.8 t -68.11 -33.12 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.8 mm-40 -60.07 -51.18 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -44.93 -68.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.581 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.8 m-85 -49.88 -61.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.602 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 3.1 m-80 -40.43 -62.75 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.87 -54.03 13.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 7.2 mmtt -48.29 -42.08 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.793 ' HB3' HG13 ' A' ' 30' ' ' VAL . 8.4 t -61.89 -60.28 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.542 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -55.65 -23.02 34.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.53 -35.26 24.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.63 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.7 mm? -68.01 -19.73 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 43.73 2.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.28 170.6 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 9.6 mttm -113.12 22.88 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 1.6 pm0 -118.98 171.99 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.602 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -95.19 160.78 14.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.793 HG13 ' HB3' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -161.85 119.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.78 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.581 HG21 ' HB3' ' A' ' 16' ' ' PHE . 42.7 t -99.46 110.73 59.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 76.99 3.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -53.92 -18.63 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.85 60.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 36' ' ' LEU . 8.2 mt -80.43 -37.35 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 90.7 m-85 -79.96 -35.37 37.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.8 pt-20 -63.84 -47.22 81.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.502 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 46.5 m -76.62 -39.26 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -127.05 70.74 75.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -75.01 -23.73 13.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.53 -43.5 80.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.73 -53.08 7.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 36.8 m-85 -103.54 138.25 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.95 ' OH ' HG21 ' A' ' 79' ' ' ILE . 38.7 p90 -178.5 152.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.833 HG21 ' CE1' ' A' ' 55' ' ' PHE . 50.8 t -105.92 133.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -117.94 163.23 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.55 45.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.6 mt -42.81 150.77 0.42 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 160.97 39.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.3 mt-10 -58.56 145.23 40.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.26 17.79 32.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.602 HG11 HG13 ' A' ' 69' ' ' ILE . 60.4 t -129.83 92.53 36.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.95 4.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 46' ' ' VAL . 31.6 t80 -93.8 53.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -88.08 178.37 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 147.66 98.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.8 17.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -84.44 49.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -43.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -49.13 164.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -87.57 -174.93 48.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.4 mt -66.3 -45.49 60.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.506 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -49.17 -32.23 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 62' ' ' GLY . 9.7 mt -63.3 -49.01 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.49 -38.51 81.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -46.31 -40.49 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.602 HG13 HG11 ' A' ' 53' ' ' VAL . 4.4 mt -69.64 -59.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.6 -45.78 6.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -47.11 -37.6 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -117.8 53.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -81.92 -32.3 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.85 36.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.63 -39.11 91.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 23.2 mt -52.62 151.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.7 tttt -150.72 146.09 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' C ' HD13 ' A' ' 79' ' ' ILE . 8.9 m-85 -110.46 118.08 35.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.95 HG21 ' OH ' ' A' ' 45' ' ' TYR . 3.6 mm -95.12 132.48 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.69 111.52 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -98.52 -20.01 17.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -127.51 77.41 75.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 93.0 mtp -87.77 -10.2 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -91.29 -24.62 19.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 -47.86 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -48.95 -43.11 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -69.69 -62.29 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.6 mt -40.7 -42.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -77.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.59 -67.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 p 40.31 88.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.4 m 64.29 122.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.38 -124.94 0.84 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 97.24 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -133.17 102.62 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.59 123.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.87 84.36 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -176.86 157.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 88.75 -56.2 4.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 t 64.65 -76.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 0.755 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 4' ' ' GLY . 7.5 t 72.46 134.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.49 -73.63 1.64 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.513 HD22 HD13 ' A' ' 70' ' ' LEU . 96.4 mt -48.75 -48.79 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.4 tttt -45.44 -47.7 13.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.36 -56.98 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -43.56 -50.0 7.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 58' ' ' PRO . 69.8 t -64.59 -41.43 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 15.7 mt-10 -57.73 -55.1 39.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -40.28 90.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -45.78 -67.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -46.59 -57.28 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -45.02 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.7 7.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.6 mmtt -56.0 -45.7 78.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HB3' HG13 ' A' ' 30' ' ' VAL . 11.8 t -46.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.573 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -51.99 -20.13 6.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -36.94 36.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB2' ' CB ' ' A' ' 78' ' ' PHE . . . -58.02 -39.63 78.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.8 mm? -71.68 -7.68 49.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.42 30.66 21.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD13 ' OE1' ' A' ' 28' ' ' GLN . 4.9 mt -114.48 170.98 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -112.28 23.87 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.499 ' OE1' HD13 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -114.0 169.67 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.83 140.58 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.573 HG12 ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -146.33 119.17 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 149.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.537 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 70.6 t -98.9 114.84 65.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HG2' HD12 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.02 76.37 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -50.69 -25.95 4.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.52 75.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 36' ' ' LEU . 14.1 mt -70.23 -40.52 74.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 96.6 m-85 -75.02 -15.86 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -91.54 -35.86 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -84.98 -36.09 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -127.9 72.3 78.79 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -17.71 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.28 36.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -161.81 -45.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 40.2 m-85 -112.15 127.68 56.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 79' ' ' ILE . 10.1 p90 -171.9 151.79 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.629 HG21 ' CE1' ' A' ' 55' ' ' PHE . 84.0 t -98.67 149.7 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mt-10 -130.08 164.52 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.7 -26.23 22.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.7 mt -42.65 151.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.77 32.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.564 1.823 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.895 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -58.8 152.11 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.85 22.28 2.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 51' ' ' GLU . 46.9 t -130.8 91.7 36.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.91 9.3 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.629 ' CE1' HG21 ' A' ' 46' ' ' VAL . 32.9 t80 -90.07 36.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 mmt180 -65.55 174.66 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -62.11 150.51 83.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.614 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.04 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -69.58 60.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.73 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.492 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 8.9 m-85 -51.81 161.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.422 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -72.84 -178.29 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 27.0 mt -71.64 -45.24 12.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -44.23 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.492 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -51.63 -41.43 61.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.554 ' CD2' HG21 ' A' ' 12' ' ' VAL . 8.9 mt -54.74 -49.26 71.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.22 96.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -52.66 -39.76 62.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.52 HG13 HG11 ' A' ' 53' ' ' VAL . 5.3 mt -67.23 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -46.34 -51.35 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.27 50.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 74' ' ' ALA . 2.3 ptpp? -75.38 -49.38 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 73' ' ' LYS . . . -64.37 -44.05 92.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -55.44 -46.53 76.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 19.0 mt -46.01 147.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.4 tttt -150.61 135.18 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.551 ' O ' HD13 ' A' ' 79' ' ' ILE . 7.9 m-85 -92.6 132.34 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 45' ' ' TYR . 14.7 mm -112.51 135.58 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 44' ' ' PHE . 1.6 mt -140.1 112.98 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -97.2 -11.02 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 43.7 mttt -137.43 72.6 50.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -79.12 -19.68 50.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.1 mmm -99.3 -2.76 35.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.88 -34.03 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.61 -53.31 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.2 m -42.1 -50.29 4.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.62 61.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.4 mt -55.83 -18.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -83.99 -52.85 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -7.9 45.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 m -96.67 -52.29 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m 57.46 106.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.74 135.97 22.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 67.9 5.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.99 -64.42 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.5 p -105.55 105.44 15.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.046 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t 68.32 143.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 110.007 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 m 62.06 89.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.67 150.4 24.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' CB ' HG12 ' A' ' 63' ' ' ILE . 2.4 t -96.05 -70.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.96 143.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.69 -79.85 0.32 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.925 HD12 HD13 ' A' ' 70' ' ' LEU . 1.2 mm? -54.95 -41.49 71.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.14 -57.01 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLU . 1.6 tt0 -66.94 -64.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' CB ' HD21 ' A' ' 70' ' ' LEU . 1.1 mtpp -38.78 -48.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.736 HG23 HD11 ' A' ' 70' ' ' LEU . 77.3 t -65.18 -46.95 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' GLN . 3.2 mt-10 -47.98 -52.71 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' LEU . 9.8 m-80 -63.84 -46.79 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 73' ' ' LYS . 1.4 tp -40.09 -65.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 12' ' ' VAL . 23.1 m-85 -51.44 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.733 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.6 m-80 -44.01 -60.42 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -59.98 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 17.5 mmtt -41.52 -52.62 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -47.06 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.43 -33.89 8.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -44.62 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.56 88.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.35 39.18 4.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.32 170.81 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.84 12.6 27.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -126.24 -179.34 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -94.87 157.61 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.405 HG11 HG13 ' A' ' 90' ' ' ILE . 17.1 t -143.6 120.02 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.75 123.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 16' ' ' PHE . 69.0 t -69.87 115.52 34.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' PRO . 45.0 m-85 -34.16 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.3 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' PRO . 61.8 mt -48.29 -38.11 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 61.5 m-85 -78.43 -27.83 46.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -72.79 -39.46 66.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -88.9 -35.25 16.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -128.8 73.11 81.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.055 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.97 -36.13 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.44 -35.66 76.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -82.77 -49.38 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 34.8 m-85 -111.37 129.42 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.79 ' OH ' HG21 ' A' ' 79' ' ' ILE . 17.9 p90 -170.45 154.59 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 55' ' ' PHE . 98.2 t -105.11 127.31 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -107.92 163.62 12.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 -25.58 26.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 55' ' ' PHE . 31.3 mt -40.84 152.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.2 Cg_endo -74.97 152.09 40.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.34 140.15 34.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.3 10.91 58.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.688 HG11 HG13 ' A' ' 69' ' ' ILE . 40.1 t -127.96 93.41 39.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -175.96 2.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 11.4 t80 -90.56 36.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -178.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.74 149.7 97.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.96 -47.59 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 m -71.24 60.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.61 -48.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -50.87 162.91 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.15 -179.3 21.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -69.38 -44.61 26.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.0 Cg_endo -75.06 -51.63 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.438 1.757 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.95 -39.77 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 7.1 mt -56.36 -58.63 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.0 -42.93 50.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -47.99 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.688 HG13 HG11 ' A' ' 53' ' ' VAL . 3.9 mt -44.23 -54.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.925 HD13 HD12 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -51.52 -58.15 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -43.05 -27.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.51 ' O ' HD12 ' A' ' 76' ' ' ILE . 75.1 m-20 -116.63 47.79 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pttp -95.98 1.08 52.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.87 -41.35 6.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HD3' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -75.61 -37.48 59.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 72' ' ' ASN . 11.2 mt -43.65 144.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 16.1 tttt -150.61 153.94 36.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.655 ' C ' HD13 ' A' ' 79' ' ' ILE . 5.1 m-85 -114.17 128.97 56.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.79 HG21 ' OH ' ' A' ' 45' ' ' TYR . 3.2 mm -101.83 138.38 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -139.16 111.34 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -100.29 -10.71 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -145.79 78.72 11.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.92 20.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.789 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.75 -38.55 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.58 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.408 ' C ' HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -80.66 -36.37 32.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -50.75 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.6 m -46.37 -44.04 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.42 -57.98 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 86' ' ' PHE . 3.3 mt -47.83 -41.73 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -65.41 -50.57 64.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.98 66.75 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.2 m -153.29 94.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.58 77.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -116.37 154.22 16.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.77 3.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.9 -55.79 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.1 142.01 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -149.77 84.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.11 -59.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.12 178.58 48.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 p -89.63 86.08 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -141.27 -167.95 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.0 -68.3 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.502 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -56.5 -50.8 70.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mttt -38.16 -56.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -47.64 84.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.63 -71.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG12 ' CE2' ' A' ' 16' ' ' PHE . 53.1 t -42.77 -41.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.87 -53.72 44.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -64.08 -44.08 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.9 tp -41.52 -65.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.783 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.1 m-85 -51.14 -63.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HA ' HG23 ' A' ' 32' ' ' VAL . 6.6 m-80 -40.69 -60.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -50.91 -62.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.5 mmtt -40.3 -52.37 2.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.507 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -43.64 -65.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.298 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' LEU . . . -50.39 -28.05 13.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.18 -40.48 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.15 -46.31 82.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 86' ' ' PHE . 2.8 mm? -71.09 -16.78 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.38 57.8 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.442 HD13 HE21 ' A' ' 28' ' ' GLN . 28.5 mt -127.29 168.92 14.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.61 13.71 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.442 HE21 HD13 ' A' ' 26' ' ' LEU . 3.5 pt20 -126.23 -177.91 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -96.12 157.48 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' LYS . 17.0 t -148.29 121.77 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -39.89 133.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 16' ' ' PHE . 44.4 t -82.18 114.04 48.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.715 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.96 61.12 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -39.21 -41.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.65 -51.78 45.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 33' ' ' PRO . 7.0 mp -50.73 -45.38 58.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -72.8 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.8 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -35.27 76.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -123.63 73.98 53.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -26.91 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.92 47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 51.2 m-20 -169.75 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.666 ' CE2' HD23 ' A' ' 36' ' ' LEU . 37.0 m-85 -120.33 117.56 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.606 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 29.0 p90 -158.14 155.12 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 64.3 t -109.38 133.7 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mt-10 -117.35 138.42 51.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.35 -25.69 5.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.7 mt -43.82 152.71 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.59 38.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.18 139.21 36.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.65 6.1 65.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.774 HG11 HG13 ' A' ' 69' ' ' ILE . 35.2 t -126.14 95.06 39.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.06 3.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.3 t80 -90.33 37.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.86 -178.59 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -68.66 149.91 97.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -46.13 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.0 p -69.26 61.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.13 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 14.6 m-85 -55.33 161.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.65 -179.62 8.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 mt -70.79 -44.94 16.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -48.75 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -41.29 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 8.5 mt -55.74 -59.11 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.06 -43.83 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -47.66 -64.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.774 HG13 HG11 ' A' ' 53' ' ' VAL . 5.9 mt -39.92 -53.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 8' ' ' LEU . 2.0 mt -55.06 -56.93 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -38.72 -37.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -107.89 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -86.53 -13.21 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.55 -39.92 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -69.04 -35.06 76.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.52 143.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.4 tttp -150.9 135.36 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 10.5 m-85 -95.96 128.35 42.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.606 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 11.8 mm -111.81 131.15 63.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.428 HG23 ' CE1' ' A' ' 44' ' ' PHE . 1.5 mt -128.01 111.59 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -92.1 -23.73 19.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 13.6 mttm -128.55 72.96 80.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.52 20.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -71.35 -13.38 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mmm -96.97 -25.61 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.541 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.1 m-85 -66.76 -26.69 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -41.75 -61.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.2 m -49.32 -32.11 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -76.52 -45.25 31.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 87' ' ' GLU . 28.6 mt -56.94 -31.96 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -71.1 -78.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -39.87 -69.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t 62.82 -90.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.56 142.85 50.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 178.44 91.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 149.09 35.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.16 147.49 53.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.04 159.35 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -154.47 127.25 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.973 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.33 89.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.81 130.23 5.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p 46.82 81.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 0.72 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.46 -51.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.1 -57.43 10.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.524 HD22 ' CD1' ' A' ' 70' ' ' LEU . 15.9 mt -42.96 -59.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 66' ' ' LEU . 8.2 mttt -42.26 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -51.76 63.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.74 -58.14 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.62 HG12 ' CE2' ' A' ' 16' ' ' PHE . 98.5 t -58.68 -27.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.75 -69.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -52.27 -34.83 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.17 -58.82 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.3 m-85 -57.03 -48.52 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.628 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 5.4 m-80 -52.81 -61.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -59.37 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.64 -44.41 26.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.015 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -43.82 -71.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.66 -43.69 8.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -35.92 68.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.53 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -60.08 -55.53 32.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 90' ' ' ILE . 1.9 mp -70.75 -13.52 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.59 62.33 1.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.493 HD12 HG21 ' A' ' 30' ' ' VAL . 73.5 mt -123.78 164.48 19.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -101.44 9.47 41.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -131.23 -175.56 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -93.71 164.07 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG21 HD12 ' A' ' 26' ' ' LEU . 26.6 t -151.68 119.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 115.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.015 HG22 ' SG ' ' A' ' 20' ' ' CYS . 59.7 t -75.63 116.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 72.38 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -45.29 -23.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.38 -49.82 31.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.0 mt -49.06 -37.04 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 75.3 m-85 -75.73 -31.53 59.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.44 -36.19 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -46.0 10.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -124.08 73.1 56.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.96 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.48 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.13 -51.0 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.518 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.0 m-85 -107.78 128.78 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.91 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 25.3 p90 -168.53 154.63 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.601 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 33.2 t -110.89 137.72 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.6 mm-40 -114.29 166.47 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.8 -29.97 9.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.4 mt -40.62 152.3 0.24 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 176.33 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.843 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.4 tt0 -69.09 148.76 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.34 25.21 8.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 51' ' ' GLU . 60.4 t -130.9 96.32 23.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 179.84 5.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 10.2 t80 -96.42 38.43 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -77.93 -173.25 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 151.49 70.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -26.04 11.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.7 p -73.33 57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.961 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.53 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.622 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -100.13 -177.45 30.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.4 mt -69.4 -45.14 27.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.98 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.524 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -49.19 -31.11 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 62' ' ' GLY . 11.5 mt -65.52 -48.84 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG2' HD21 ' A' ' 8' ' ' LEU . 2.2 mm-40 -65.78 -39.87 91.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -45.5 -43.63 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.663 HG13 HG11 ' A' ' 53' ' ' VAL . 4.3 mt -65.98 -59.33 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.524 ' CD1' HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -40.38 -51.78 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.2 mtm180 -37.75 -41.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -117.06 53.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -79.14 -39.61 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.78 -46.36 37.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -53.93 -47.1 71.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.469 HG23 ' CG1' ' A' ' 46' ' ' VAL . 13.3 mt -42.39 151.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 139.7 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -101.09 134.01 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.91 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 18.6 mm -111.6 125.26 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.53 HG13 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -126.1 111.25 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -99.44 -14.63 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -139.56 77.2 28.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.82 17.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.18 -34.98 25.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 92.6 mtp -74.61 -9.77 58.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -83.87 -24.72 30.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -38.46 -43.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 m -52.61 -52.46 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.04 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.478 HD11 HD22 ' A' ' 24' ' ' LEU . 72.1 mt -41.54 -42.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -69.73 -56.37 7.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.53 -54.68 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -41.83 133.65 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.22 -58.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.95 -150.04 5.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -177.93 114.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 t -179.03 95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.19 76.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.978 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -116.23 97.36 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.83 -50.48 0.13 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 p -69.09 153.73 43.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 p -138.97 -68.42 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.65 -60.78 8.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.507 HD22 HD13 ' A' ' 70' ' ' LEU . 82.9 mt -40.95 -53.37 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -44.23 -61.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -45.37 82.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.38 -68.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.599 HG12 ' CE2' ' A' ' 16' ' ' PHE . 58.6 t -47.09 -26.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -68.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.68 -33.37 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.1 tp -50.84 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' A' ' 32' ' ' VAL . 25.5 m-85 -44.98 -53.0 8.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.752 ' HA ' HG23 ' A' ' 32' ' ' VAL . 2.8 m120 -51.73 -67.14 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -55.38 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE3' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -47.43 -53.57 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.48 -61.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.44 -43.12 27.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -42.19 80.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.32 -56.18 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.59 -14.92 63.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 71.41 1.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 30' ' ' VAL . 93.2 mt -129.03 160.42 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -96.51 5.8 50.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -131.11 -178.29 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.96 158.81 15.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 26' ' ' LEU . 15.5 t -139.55 120.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -43.51 117.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 17' ' ' ASN . 64.0 t -65.57 112.63 9.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 63.38 6.05 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -41.66 -38.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.21 69.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' O ' ' A' ' 85' ' ' MET . 21.9 mt -53.24 -46.28 69.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 88.4 m-85 -70.63 -18.69 62.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.97 -45.19 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -83.4 -37.53 23.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE2' ' CE ' ' A' ' 85' ' ' MET . 43.0 m-85 -126.4 73.23 73.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.98 -32.69 5.19 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.18 -36.23 83.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.17 -45.29 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.512 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 23.2 m-85 -116.53 124.5 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.763 ' OH ' HG21 ' A' ' 79' ' ' ILE . 37.2 p90 -161.0 151.91 18.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 55' ' ' PHE . 22.0 t -99.58 147.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.7 mm-40 -130.41 -174.25 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.87 27.32 66.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 55' ' ' PHE . 10.2 mt -80.38 154.87 74.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.549 ' O ' HG23 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.95 141.18 26.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 35.54 -146.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.55 33.07 3.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 50' ' ' PRO . 79.2 t -70.35 113.28 16.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.98 122.28 7.11 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.587 ' HB2' HD11 ' A' ' 49' ' ' LEU . 8.9 t80 -49.54 91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -126.34 -175.31 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -74.42 150.93 87.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -20.24 17.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.2 p -85.4 57.47 4.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -172.81 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.7 m-85 -54.66 -178.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.608 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -96.49 -177.1 35.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.2 mt -66.97 -45.12 53.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -30.79 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 62' ' ' GLY . 11.1 mt -66.52 -53.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.62 -38.94 75.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.233 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -48.09 -48.77 33.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.97 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.507 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -55.88 -56.65 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -40.13 -35.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -110.38 51.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.6 -6.52 59.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.72 -35.71 5.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -70.03 -37.18 75.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.402 HG22 ' HE3' ' A' ' 19' ' ' LYS . 42.8 mt -54.59 148.0 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -150.69 143.28 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.685 ' C ' HD13 ' A' ' 79' ' ' ILE . 11.0 m-85 -107.27 127.93 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.763 HG21 ' OH ' ' A' ' 45' ' ' TYR . 2.6 mm -100.92 137.34 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -137.43 111.49 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -101.18 -9.38 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -144.48 77.09 14.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.49 20.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.08 -22.88 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.528 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.4 mmm -95.94 -1.38 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.73 -31.37 17.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 90' ' ' ILE . 17.5 pt-20 -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 1.7 m -42.99 -36.44 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 -47.24 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 87' ' ' GLU . 12.5 mt -53.58 -32.3 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -79.4 -41.87 26.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -91.2 37.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.3 -59.11 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.2 t -96.45 89.72 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.05 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.87 107.32 0.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.1 t 62.52 113.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t 72.25 137.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.3 p -106.95 115.91 31.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.955 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.7 143.8 32.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.39 61.2 0.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.156 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 20.6 t 40.37 80.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.007 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -76.5 -177.95 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.59 -77.63 0.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 70' ' ' LEU . 67.8 mt -40.78 -64.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.53 -61.73 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.72 -54.01 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -46.34 -58.46 3.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.73 HG12 ' CE2' ' A' ' 16' ' ' PHE . 41.6 t -56.98 -49.45 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -42.9 -50.39 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -49.03 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.0 tp -40.99 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.807 ' HB3' HG21 ' A' ' 32' ' ' VAL . 20.5 m-85 -43.31 -56.93 3.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.817 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -51.33 -51.09 57.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -50.3 -52.64 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 16.9 mmtt -55.17 -44.63 75.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 12.0 t -41.65 -69.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.245 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.45 40.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -40.52 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -53.32 -57.32 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.27 -14.65 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.23 70.71 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.25 166.82 16.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -98.68 12.26 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -138.28 177.87 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -92.93 167.06 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 40.4 t -149.53 123.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -42.4 124.94 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 16' ' ' PHE . 74.2 t -66.97 113.03 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' PRO . 56.5 m-85 -34.27 -35.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.62 -57.43 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 15.5 mt -47.78 -36.44 11.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -80.87 -25.68 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -73.48 -47.27 42.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 14.3 m -82.95 -41.8 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -122.84 74.8 47.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.64 -38.96 7.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -77.7 -47.7 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 45.4 m-85 -116.24 119.34 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.739 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 50.3 p90 -156.73 151.6 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.835 HG21 ' CE1' ' A' ' 55' ' ' PHE . 69.3 t -102.33 138.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.2 mt-10 -119.91 176.06 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.62 -29.1 6.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.0 mt -39.91 150.6 0.25 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.39 13.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -42.7 130.35 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.05 -19.41 52.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.7 HG11 HG13 ' A' ' 69' ' ' ILE . 87.9 t -102.29 110.0 61.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.835 ' CE1' HG21 ' A' ' 46' ' ' VAL . 37.4 t80 -98.5 37.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -71.38 -178.88 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -71.69 151.41 93.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.65 4.38 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -74.28 57.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -171.16 -44.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -50.9 177.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.57 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -93.12 -176.98 40.71 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.2 mt -69.27 -45.18 28.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -38.07 39.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 62' ' ' GLY . 9.2 mt -57.73 -49.63 75.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -46.0 -40.09 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.7 HG13 HG11 ' A' ' 53' ' ' VAL . 5.0 mt -73.87 -55.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -45.43 -49.89 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -38.81 -43.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.434 ' O ' HD12 ' A' ' 76' ' ' ILE . 90.7 m-20 -108.94 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.1 -11.92 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.29 -30.03 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -76.58 -34.5 58.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 72' ' ' ASN . 19.9 mt -51.72 145.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 145.58 26.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' HG22 ' A' ' 46' ' ' VAL . 3.3 m-85 -107.97 124.29 49.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.739 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 3.8 mm -93.61 132.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.587 HG13 ' HB1' ' A' ' 23' ' ' ALA . 3.3 mm -131.76 111.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -95.52 -28.82 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.22 82.13 66.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.33 -16.07 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.6 mtp -93.57 -8.95 39.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -86.12 -28.05 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -52.05 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 m -48.76 -40.13 27.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -67.25 -54.9 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -39.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.68 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.43 ' CD ' ' HA ' ' A' ' 96' ' ' PRO . 80.4 mt-10 -69.72 -70.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.4 t 57.15 109.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.0 92.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.29 121.35 0.33 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.43 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.92 95.91 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 t 63.38 132.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.7 t -149.56 85.09 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -120.54 139.66 52.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -93.74 -65.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.02 -77.64 0.23 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.68 ' OG ' HD11 ' A' ' 63' ' ' ILE . 1.6 m -73.23 84.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -132.56 -176.86 4.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.01 -71.11 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.567 HD22 HD13 ' A' ' 70' ' ' LEU . 79.1 mt -40.22 -54.51 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -57.03 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.74 -47.78 79.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HD3' HD23 ' A' ' 8' ' ' LEU . 11.4 mttt -52.02 -63.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.592 HG12 ' HB3' ' A' ' 58' ' ' PRO . 53.4 t -54.01 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -52.33 -53.34 45.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -63.81 -44.03 94.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.6 tp -41.42 -65.97 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.45 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.4 m-85 -51.68 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -40.82 -54.84 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -59.42 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -48.01 -39.07 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -43.47 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.311 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.89 36.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -39.35 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -53.35 -57.78 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.408 ' CD2' HD11 ' A' ' 90' ' ' ILE . 1.6 mp -72.48 -13.88 61.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 65.31 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.0 mt -120.37 162.88 18.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -95.94 6.81 47.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -130.18 -175.21 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' C ' HG23 ' A' ' 30' ' ' VAL . . . -96.48 168.37 10.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.42 HG23 ' C ' ' A' ' 29' ' ' ALA . 38.2 t -151.88 124.78 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 143.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 16' ' ' PHE . 49.2 t -95.0 111.38 54.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.3 Cg_endo -75.03 62.3 5.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -38.95 -44.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -48.23 -54.93 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.794 HD23 ' CE2' ' A' ' 44' ' ' PHE . 6.8 mp -48.55 -49.12 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.2 -14.31 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' ALA . 1.1 mm-40 -95.96 -55.93 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -72.27 -30.95 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.462 ' CE2' ' CE ' ' A' ' 85' ' ' MET . 21.0 m-85 -128.97 67.79 78.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.2 17.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -165.43 -45.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.794 ' CE2' HD23 ' A' ' 36' ' ' LEU . 25.3 m-85 -111.72 108.06 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 6.6 p90 -145.58 162.64 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.533 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 79.9 t -115.37 126.88 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.4 mm-40 -107.32 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.07 -27.68 8.06 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 18.8 mt -39.95 154.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -47.83 123.33 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.6 5.81 53.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.61 95.83 37.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.97 6.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.1 t80 -38.33 108.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 12.2 mmt180 -140.58 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.33 152.47 91.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -47.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 p -69.29 61.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -173.53 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.5 m-85 -57.76 144.16 39.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.92 168.85 9.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.68 HD11 ' OG ' ' A' ' 5' ' ' SER . 32.5 mt -57.71 -43.92 99.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 61' ' ' PHE . 5.2 ttp180 -48.6 -42.09 32.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD2' HG21 ' A' ' 12' ' ' VAL . 11.0 mt -55.6 -52.86 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.1 -44.7 87.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -43.14 -45.87 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 76' ' ' ILE . 3.4 mt -67.07 -52.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.567 HD13 HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -52.21 -40.86 62.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.29 -20.98 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -130.8 49.94 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -45.13 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.76 -45.29 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -54.43 -48.24 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.871 HD11 HG23 ' A' ' 69' ' ' ILE . 28.9 mt -46.35 141.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' GLU . 22.2 tttt -150.74 132.16 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -90.94 135.53 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.847 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 29.1 mm -114.66 132.86 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.37 110.99 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -100.0 -0.51 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 32.1 mttt -148.67 71.89 10.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.49 16.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.435 1.755 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.06 -22.0 62.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.462 ' CE ' ' CE2' ' A' ' 40' ' ' PHE . 1.4 mmm -96.39 -10.92 26.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -84.08 -29.61 26.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.13 -50.37 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 m -50.35 -44.69 54.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -41.84 78.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.408 HD11 ' CD2' ' A' ' 24' ' ' LEU . 62.9 mt -62.1 -29.27 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -50.25 29.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.66 -72.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 48.94 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t 57.84 164.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.09 178.41 28.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 63.76 6.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 t 67.25 93.49 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 t -64.12 -59.39 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.065 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -39.48 -56.17 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 t 63.7 132.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.049 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.44 -154.46 20.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -89.65 81.05 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 -178.77 5.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 82.72 -87.99 1.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.43 1.081 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.6 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -39.82 -49.66 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' LEU . 4.4 mttt -39.43 -59.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -50.24 70.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -71.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG12 ' CE2' ' A' ' 16' ' ' PHE . 59.3 t -42.48 -40.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.91 -54.56 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -63.92 -43.36 96.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.8 tp -41.59 -66.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.0 m-30 -49.69 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 8.1 m-80 -41.35 -41.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -64.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 6.8 mmtt -44.85 -43.03 8.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HB2' HG22 ' A' ' 32' ' ' VAL . 54.0 t -42.59 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -38.39 30.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -49.21 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.8 61.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' N ' HD22 ' A' ' 24' ' ' LEU . 2.1 mm? -62.91 -19.72 64.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.45 34.57 7.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.408 HD12 HG21 ' A' ' 30' ' ' VAL . 72.3 mt -101.8 166.4 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 8.49 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.07 -176.1 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -91.58 162.36 14.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.408 HG21 HD12 ' A' ' 26' ' ' LEU . 57.7 t -148.43 126.06 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.37 121.94 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG22 ' HB2' ' A' ' 20' ' ' CYS . 63.4 t -75.07 114.54 36.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.749 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.04 63.78 6.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -43.88 -54.39 5.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.94 HD23 ' CE2' ' A' ' 44' ' ' PHE . 5.8 mp -48.34 -51.51 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.18 -13.04 32.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -98.75 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 38.2 m -68.0 -34.77 77.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' LEU . 39.8 m-85 -125.58 71.5 66.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.34 13.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 45.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -167.42 -48.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.94 ' CE2' HD23 ' A' ' 36' ' ' LEU . 39.6 m-85 -109.24 133.49 52.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.617 ' CE1' HG21 ' A' ' 79' ' ' ILE . 7.9 p90 -177.89 149.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.537 ' CG1' HG23 ' A' ' 76' ' ' ILE . 68.1 t -99.25 143.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.1 mm-40 -122.79 141.87 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.81 -23.95 9.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.1 mt -42.83 153.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 151.22 39.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -54.68 139.12 39.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.71 9.43 65.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.74 HG11 HG13 ' A' ' 69' ' ' ILE . 47.0 t -128.68 96.36 30.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -171.46 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.0 t80 -99.28 34.98 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.01 178.88 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 144.71 87.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.402 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.06 -16.04 20.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -93.28 51.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.93 -46.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -49.94 174.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.2 -178.27 51.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 10.5 mt -69.13 -44.47 27.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -51.42 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD3' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.94 -39.46 12.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 17.7 mt -56.6 -57.68 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.77 -43.02 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -50.43 -61.56 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.74 HG13 HG11 ' A' ' 53' ' ' VAL . 4.4 mt -40.91 -47.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -63.61 -54.56 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -40.81 -30.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 70' ' ' LEU . 72.5 m-20 -118.7 56.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -84.5 -48.49 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 73' ' ' LYS . . . -61.96 -43.23 99.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -46.06 91.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.537 HG23 ' CG1' ' A' ' 46' ' ' VAL . 14.1 mt -48.91 146.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.5 tttp -150.97 136.23 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 5.5 m-85 -92.27 129.76 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.617 HG21 ' CE1' ' A' ' 45' ' ' TYR . 17.2 mm -111.87 133.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.4 HD13 ' CZ ' ' A' ' 86' ' ' PHE . 1.7 mt -136.71 116.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.51 -5.34 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 30.3 mttt -142.67 72.47 20.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.39 21.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -24.71 66.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.448 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 87.5 mtp -87.15 -30.31 21.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.485 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 2.0 m-85 -64.98 -35.58 81.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.3 mt-10 -41.0 -54.44 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.2 m -45.64 -48.31 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . -58.31 -58.63 7.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 87' ' ' GLU . 3.9 mt -48.15 -44.28 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -54.19 -65.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -86.93 44.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 89' ' ' ALA . 3.8 m -134.15 142.1 47.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.11 146.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.043 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -125.76 97.9 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 69.65 5.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.791 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 95.6 p -80.48 131.79 35.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 t -140.36 105.04 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.46 127.76 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -122.66 -67.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.473 ' CA ' HG13 ' A' ' 63' ' ' ILE . . . -158.2 113.79 0.58 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.127 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 58.21 161.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.058 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -117.87 -39.93 3.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.94 -58.27 8.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.7 mt -40.77 -48.72 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -49.02 -63.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.83 68.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -62.23 -61.88 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.433 HG12 ' CE2' ' A' ' 16' ' ' PHE . 90.3 t -56.31 -32.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.71 -48.54 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -67.93 -38.31 82.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 12' ' ' VAL . 2.4 tp -46.46 -68.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HB3' HG21 ' A' ' 32' ' ' VAL . 21.4 m-30 -49.1 -60.78 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.0 m-80 -42.9 -59.18 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.9 -48.11 5.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -36.35 26.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.86 -45.37 94.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.73 -51.24 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.0 mm? -63.22 -22.22 66.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 35.72 5.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -104.85 169.68 8.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.65 10.54 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -124.82 -177.82 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.534 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -92.39 153.3 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' LYS . 38.6 t -141.22 124.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -39.75 157.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 16' ' ' PHE . 38.9 t -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.764 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.95 63.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.416 1.745 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -41.45 -44.01 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.33 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.881 HD23 ' CE2' ' A' ' 44' ' ' PHE . 6.3 mp -50.67 -51.21 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -65.86 -9.78 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -99.39 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 2.0 m -72.93 -26.27 61.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' CE2' ' HE3' ' A' ' 85' ' ' MET . 24.3 m-85 -131.32 68.94 81.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -26.56 10.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -85.97 45.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -167.84 -42.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.881 ' CE2' HD23 ' A' ' 36' ' ' LEU . 38.7 m-85 -115.54 133.4 56.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.767 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 7.7 p90 -176.18 156.11 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.8 t -107.3 139.38 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 0.5 OUTLIER -116.38 169.98 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.01 -16.11 49.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 55' ' ' PHE . 28.1 mt -40.3 155.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.98 143.28 28.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.3 tt0 34.49 -146.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.89 32.58 3.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 50' ' ' PRO . 60.5 t -70.24 113.09 15.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.0 122.34 7.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.56 ' HB2' HD11 ' A' ' 49' ' ' LEU . 62.6 t80 -50.56 90.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' PRO . 1.7 mmm-85 -122.93 -174.25 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -70.88 143.9 89.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.81 21.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.3 t -89.8 50.25 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -167.04 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 7.7 m-85 -51.01 -179.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.6 172.16 27.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 37.2 mt -58.5 -44.01 98.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.553 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -47.76 -35.7 10.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.25 -54.22 43.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.43 -42.41 82.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.57 -51.64 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 76' ' ' ILE . 3.6 mt -57.47 -59.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.1 -57.24 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.64 -41.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -112.01 54.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -77.48 -49.27 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -45.31 79.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -55.26 -48.93 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 69' ' ' ILE . 11.7 mt -43.04 150.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -150.19 137.75 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.685 ' C ' HD12 ' A' ' 79' ' ' ILE . 5.7 m-85 -101.47 130.82 47.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -109.77 136.49 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.5 HD13 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -138.63 112.8 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -93.56 -27.2 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 23.4 mttp -123.81 75.79 56.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.09 16.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -23.54 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.492 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 80.5 mtp -88.27 -29.01 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' HD13 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -65.43 -36.03 82.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -46.64 -49.82 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -48.25 -38.16 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.76 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 87' ' ' GLU . 3.5 mt -49.34 -41.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -62.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.26 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.7 p -55.11 -60.64 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.8 m 47.41 83.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.12 98.65 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.24 5.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.5 p -53.67 151.72 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.7 p -73.72 158.84 33.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.45 -58.45 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -70.49 -65.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.17 113.2 4.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 7' ' ' GLY . 54.3 p 58.5 -173.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.963 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.95 -77.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -39.62 -54.14 2.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 43.0 mt -49.12 -52.75 24.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -36.9 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -70.56 -68.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.69 HG12 ' CE2' ' A' ' 16' ' ' PHE . 57.9 t -48.29 -24.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -65.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -57.31 -32.15 66.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -50.81 -65.13 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.69 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.6 m-85 -53.21 -56.44 16.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.062 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.7 m-80 -48.06 -37.41 15.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 3.6 mmtt -53.16 -28.19 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.817 ' SG ' HG22 ' A' ' 32' ' ' VAL . 11.0 t -52.96 -71.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.534 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -50.6 -42.54 44.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -55.09 -56.23 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 90' ' ' ILE . 2.2 mp -64.03 -12.94 43.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 48.72 2.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -124.54 165.45 17.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -106.36 17.74 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -120.51 176.11 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -99.43 160.09 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 21' ' ' GLY . 1.3 p -163.42 124.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' VAL . 4.0 ttmt -38.43 155.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.817 HG22 ' SG ' ' A' ' 20' ' ' CYS . 67.5 t -117.88 123.34 29.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.797 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.0 66.86 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -41.02 -27.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 33' ' ' PRO . . . -63.22 -52.78 60.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.036 HD23 ' CE2' ' A' ' 44' ' ' PHE . 4.5 mp -49.81 -43.25 48.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.59 -15.84 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -97.48 -53.41 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -71.77 -31.79 66.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 22.6 m-85 -128.14 69.98 78.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -22.08 15.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.18 40.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -165.99 -44.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 1.036 ' CE2' HD23 ' A' ' 36' ' ' LEU . 30.6 m-85 -114.52 116.16 28.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.829 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 44.1 p90 -159.2 150.48 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.7 t -108.8 131.11 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -104.22 167.14 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.76 -33.86 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.481 HD23 HD11 ' A' ' 76' ' ' ILE . 23.1 mt -40.67 152.34 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.29 12.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.3 132.07 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.35 -16.29 56.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.837 HG11 HG13 ' A' ' 69' ' ' ILE . 48.6 t -107.14 103.86 49.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -174.0 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CE1' HG21 ' A' ' 46' ' ' VAL . 57.9 t80 -102.53 43.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -171.7 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 147.32 68.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -85.06 57.99 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.48 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 10.2 m-85 -59.23 -176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.69 168.73 20.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 57.9 mt -57.72 -43.97 99.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.512 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm-85 -49.49 -33.89 15.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.06 -55.77 28.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -40.77 77.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -44.3 -40.12 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.837 HG13 HG11 ' A' ' 53' ' ' VAL . 4.5 mt -70.14 -58.2 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.96 -51.76 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -40.07 -38.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' HD12 ' A' ' 76' ' ' ILE . 59.4 m-20 -112.37 55.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -25.31 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.97 -37.22 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.25 -45.15 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.481 HD11 HD23 ' A' ' 49' ' ' LEU . 7.9 mt -40.89 146.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' GLU . 28.6 tttt -149.45 130.6 14.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 3.4 m-85 -90.47 138.47 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.829 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 13.6 mm -120.61 132.91 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -136.99 111.63 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -100.49 -1.06 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 18.6 mttt -148.38 78.1 9.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.95 -26.72 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -56.75 -26.53 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.9 mmm -90.81 -12.14 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -86.3 -29.49 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.36 -50.54 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -51.03 -41.06 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -70.83 -49.94 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.51 HD11 HD21 ' A' ' 24' ' ' LEU . 5.2 mt -56.34 -37.14 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -62.0 -54.84 36.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.04 -53.52 10.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.32 145.01 49.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.49 -53.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.59 157.03 20.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.2 p -154.4 170.08 22.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.7 p -80.97 126.74 31.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -173.12 -57.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 110.056 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.85 126.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.82 -150.13 16.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -71.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.95 160.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.86 -71.54 2.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 70' ' ' LEU . 1.4 mm? -48.65 -53.0 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.1 mtmt -38.43 -58.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -57.61 11.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -66.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG12 ' CE2' ' A' ' 16' ' ' PHE . 71.2 t -48.17 -45.19 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.9 mm-40 -52.44 -67.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.22 -42.5 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.8 tp -41.82 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' A' ' 12' ' ' VAL . 20.6 m-85 -46.98 -58.89 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -44.96 -49.98 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -56.56 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmmt -51.57 -46.61 63.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 9.0 t -41.57 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.581 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -52.83 -45.39 61.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -34.35 53.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -54.78 -56.32 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 90' ' ' ILE . 2.1 mp -63.96 -12.77 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' O ' HD23 ' A' ' 26' ' ' LEU . . . 89.67 57.64 1.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 25' ' ' GLY . 26.6 mt -132.85 164.68 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.08 12.85 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' OE1' ' N ' ' A' ' 28' ' ' GLN . 2.1 pm0 -111.01 171.88 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.6 140.18 42.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.581 HG12 ' CA ' ' A' ' 21' ' ' GLY . 0.5 OUTLIER -136.31 117.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -38.14 128.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 20' ' ' CYS . 20.8 t -71.31 113.75 21.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.497 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.03 77.07 3.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -53.25 -19.0 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -17.57 58.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD12 ' CG ' ' A' ' 33' ' ' PRO . 12.5 mt -86.24 -35.06 20.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 39.1 m-85 -78.58 -30.16 46.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 39' ' ' SER . 7.2 pt-20 -66.17 -47.31 74.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.52 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 3.8 m -80.88 -41.28 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.75 73.18 62.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 5.7 mt-10 -47.14 -46.77 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 28.3 m-20 -71.58 -62.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 35.4 m-85 -93.98 111.34 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.886 ' OH ' HG21 ' A' ' 79' ' ' ILE . 10.6 p90 -154.25 159.82 41.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.965 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.1 t -110.63 141.05 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.1 mt-10 -128.44 135.61 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 126.12 -24.36 5.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 10.6 mt -39.42 154.29 0.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.3 Cg_endo -75.03 160.99 39.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.788 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -57.17 145.63 30.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.2 17.3 23.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 51' ' ' GLU . 21.9 t -128.08 90.51 47.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 177.51 8.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.81 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.965 ' CE1' HG21 ' A' ' 46' ' ' VAL . 65.5 t80 -90.66 101.72 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 -175.98 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.76 152.6 95.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -41.42 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -73.71 64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.07 -42.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -53.41 148.91 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 171.76 6.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 38.7 mt -63.17 -44.18 83.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -46.54 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.558 1.82 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 6.2 mt -53.23 -55.08 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -42.83 83.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.76 -47.66 50.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.5 -59.91 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 8' ' ' LEU . 6.6 mt -44.95 -55.91 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 71' ' ' ARG . 6.5 mtp-105 -41.33 -28.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 50' ' ' PRO . 91.5 m-20 -120.11 49.85 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.24 -2.89 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.52 -39.69 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.33 -43.02 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.528 HG23 ' CG1' ' A' ' 46' ' ' VAL . 44.2 mt -45.27 140.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' GLU . 12.9 tttp -150.71 128.7 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 4.8 m-85 -91.87 119.82 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.886 HG21 ' OH ' ' A' ' 45' ' ' TYR . 17.0 mm -94.1 123.54 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.545 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.4 mm -121.71 111.48 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.35 -30.23 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 8.2 mttt -118.87 80.37 17.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.26 5.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -62.99 -20.15 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.9 mmm -84.18 -24.54 30.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.503 ' CE1' ' CE1' ' A' ' 44' ' ' PHE . 2.8 m-85 -83.43 -22.84 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.11 -47.51 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -58.01 -39.27 77.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.669 HD11 HD13 ' A' ' 24' ' ' LEU . 81.7 mt -40.91 -39.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -66.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.68 -53.58 30.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.1 -53.67 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.0 m -111.48 87.61 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.56 154.9 16.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 62.83 5.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.9 t 61.43 125.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.36 -72.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -78.02 132.48 37.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p -156.19 179.55 9.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.98 -112.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -111.11 140.05 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.39 -172.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.53 -79.23 0.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.537 HD22 ' H ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -47.78 -45.49 29.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.0 mttt -38.83 -62.03 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -63.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -44.09 -65.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.558 HG12 ' CE2' ' A' ' 16' ' ' PHE . 94.9 t -50.61 -50.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.6 mm-40 -47.73 -53.9 13.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -63.77 -46.32 85.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD12 ' HG2' ' A' ' 19' ' ' LYS . 2.7 tp -40.92 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.4 m-85 -43.81 -55.38 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.515 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 6.8 m-80 -52.67 -50.43 63.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -56.71 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.645 ' HG2' HD12 ' A' ' 15' ' ' LEU . 16.9 mmtt -45.89 -45.49 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.3 t -42.09 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.83 -45.87 18.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -43.2 62.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -53.53 -56.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 82.96 68.84 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 HG21 ' A' ' 30' ' ' VAL . 84.2 mt -126.86 161.98 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -93.77 -4.86 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.21 -175.61 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -94.54 161.7 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 26' ' ' LEU . 44.6 t -144.01 123.69 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 151.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.83 107.03 59.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.856 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 65.66 6.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -39.14 -36.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.01 58.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.869 HD23 ' CE2' ' A' ' 44' ' ' PHE . 5.0 mp -49.77 -46.86 51.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -67.15 -15.59 63.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.3 -56.58 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 67.1 m -71.33 -32.37 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.464 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 20.9 m-85 -125.73 72.71 68.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -27.68 9.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.425 1.75 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.83 46.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 52.9 m-20 -169.54 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.869 ' CE2' HD23 ' A' ' 36' ' ' LEU . 25.0 m-85 -120.22 120.4 36.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.857 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 39.5 p90 -162.67 152.05 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.8 t -103.52 146.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mm-40 -132.26 140.7 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.91 -27.1 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.517 HD11 ' HB2' ' A' ' 55' ' ' PHE . 8.0 mt -40.36 152.95 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.04 36.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 138.65 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.33 10.73 70.45 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 69' ' ' ILE . 25.1 t -130.62 94.87 28.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.3 t80 -88.89 36.48 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 2.6 mmm180 -68.75 -177.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 151.98 96.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.5 Cg_endo -74.93 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.029 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -68.82 63.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -173.84 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m-85 -55.58 153.12 8.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.64 177.67 6.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.7 mt -67.76 -44.41 42.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.35 -39.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 13.0 mt -58.2 -58.48 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -51.07 -40.16 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' ILE . 11.1 mtmt -50.52 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.615 HG13 HG11 ' A' ' 53' ' ' VAL . 6.3 mt -39.04 -56.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -48.22 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -39.02 -38.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -107.59 51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.8 ptpt -88.03 -29.44 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.16 57.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -65.07 -39.0 92.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.422 HD11 HG23 ' A' ' 69' ' ' ILE . 13.1 mt -51.26 143.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.7 ttpp -150.78 136.71 18.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.501 ' C ' HD13 ' A' ' 79' ' ' ILE . 4.6 m-85 -96.83 125.41 41.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.857 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.0 mm -105.54 134.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -134.88 111.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . 1.1 mttt -95.6 -21.78 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 29.8 mttt -128.02 73.76 79.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.07 17.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.31 -11.7 34.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.464 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 1.2 mmm -100.57 -26.29 13.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.7 m-85 -68.75 -36.37 78.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.96 -57.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.4 m -45.68 -40.0 8.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -68.85 -49.54 57.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.463 ' CG1' HG11 ' A' ' 30' ' ' VAL . 3.9 mt -59.12 -37.13 66.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -56.84 -60.19 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.67 43.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.9 t -100.95 121.08 41.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.03 167.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.34 168.54 30.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -155.37 113.47 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -158.88 89.39 0.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p -70.84 157.0 38.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.57 166.05 10.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.23 -70.24 0.24 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.542 ' CB ' HD12 ' A' ' 63' ' ' ILE . 1.4 t 42.04 82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.27 58.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.17 -76.27 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -58.16 -44.92 88.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -39.09 -56.42 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -55.98 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.17 -62.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.574 HG12 ' CE2' ' A' ' 16' ' ' PHE . 96.6 t -54.96 -44.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -64.94 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -55.78 -46.03 78.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.4 tp -40.91 -69.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.6 m-30 -46.36 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -41.98 -66.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.98 -55.5 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmtt -46.03 -52.08 12.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.752 ' HB3' HG13 ' A' ' 30' ' ' VAL . 11.1 t -43.64 -59.24 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.566 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -57.98 -37.91 87.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -32.45 73.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -57.64 -46.36 84.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.2 mm? -67.21 -21.04 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 20.62 10.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.4 mt -99.04 170.77 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 0.794 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -112.55 18.99 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.17 -179.1 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.16 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.752 HG13 ' HB3' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -165.29 115.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -40.1 135.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 t -80.35 114.19 45.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -74.98 75.45 3.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -52.2 -19.96 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -21.88 56.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.1 mt -81.96 -34.22 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 72.1 m-85 -81.35 -32.04 33.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.5 pt-20 -68.39 -47.09 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -74.0 -42.69 60.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.94 71.42 68.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.6 10.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.63 -15.68 61.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.13 -48.36 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 58.6 m-85 -112.43 131.07 55.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 19.2 p90 -169.72 154.33 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.828 HG21 ' CE1' ' A' ' 55' ' ' PHE . 57.0 t -104.79 143.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.1 mt-10 -121.56 173.72 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.03 -23.5 17.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 50.7 mt -39.83 154.07 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.94 25.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.2 tt0 -63.2 147.21 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.45 18.94 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 51' ' ' GLU . 48.4 t -129.54 91.3 41.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.43 ' C ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 -173.94 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.828 ' CE1' HG21 ' A' ' 46' ' ' VAL . 41.0 t80 -99.35 96.2 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -139.37 178.55 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -50.1 144.57 10.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.0 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -58.28 -17.65 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -47.46 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -55.85 167.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -87.76 172.28 42.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.667 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.8 mm -59.17 -42.53 93.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -50.85 -31.47 17.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.48 HD21 ' O ' ' A' ' 58' ' ' PRO . 12.8 mt -62.83 -57.87 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -42.47 52.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -47.58 -55.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.456 HG13 HG11 ' A' ' 53' ' ' VAL . 4.3 mt -49.54 -57.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 8' ' ' LEU . 10.4 mt -42.9 -59.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -38.37 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 68.3 m-20 -121.57 54.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -85.42 -47.11 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.93 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 72' ' ' ASN . 9.9 mt -40.94 144.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' VAL . 7.2 tttt -150.39 152.52 34.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.652 ' C ' HD12 ' A' ' 79' ' ' ILE . 4.7 m-85 -113.22 130.18 56.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.847 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.3 mp -105.73 118.21 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.622 HG13 ' HB1' ' A' ' 23' ' ' ALA . 2.5 mm -115.65 112.15 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -90.22 -39.14 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -119.43 83.02 25.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.14 4.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.37 -27.47 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 mmm -82.93 -13.75 55.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -93.97 -20.12 20.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -47.65 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -54.31 -28.03 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -80.85 -50.04 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.509 HD11 ' HG ' ' A' ' 24' ' ' LEU . 2.8 mp -56.83 -37.15 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -76.84 -43.64 35.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.31 -52.26 66.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.74 100.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.5 t -140.87 111.68 7.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.82 91.43 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.1 t -146.13 -59.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m -83.62 -59.52 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.6 mt -41.39 -56.52 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -53.29 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -47.65 83.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -52.3 -59.92 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.757 HG12 ' CE2' ' A' ' 16' ' ' PHE . 46.7 t -54.98 -31.0 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -65.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -52.83 -40.87 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 HG13 ' A' ' 12' ' ' VAL . 2.1 tp -45.7 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.776 ' HB3' HG21 ' A' ' 32' ' ' VAL . 23.0 m-85 -53.44 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.608 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.6 m120 -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -62.76 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.9 mmtt -41.08 -47.27 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -48.65 -67.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 108.302 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.53 -46.78 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -31.64 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -60.6 -43.61 97.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.507 HD21 ' CD2' ' A' ' 86' ' ' PHE . 3.0 mm? -75.98 -15.68 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.92 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.11 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.88 169.82 9.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -112.13 12.95 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -127.72 -177.4 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.608 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -96.36 148.47 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 31' ' ' LYS . 20.9 t -139.26 121.6 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -39.74 122.42 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.776 HG21 ' HB3' ' A' ' 16' ' ' PHE . 55.7 t -64.19 112.17 7.04 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -38.0 -38.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.6 -48.95 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' PRO . 18.3 mt -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 87.5 m-85 -81.04 -22.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.07 -37.32 22.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -85.59 -40.41 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -123.57 74.1 53.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.3 15.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.0 41.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -164.0 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.5 m-85 -115.82 134.26 55.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.748 ' OH ' HG21 ' A' ' 79' ' ' ILE . 20.3 p90 -173.75 150.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 55' ' ' PHE . 62.9 t -99.29 137.34 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 170.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.98 -24.08 20.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 55' ' ' PHE . 31.4 mt -42.61 151.41 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.0 167.53 26.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.911 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -61.05 147.84 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.12 24.29 9.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 51' ' ' GLU . 40.9 t -130.57 91.76 36.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.802 ' CE1' HG21 ' A' ' 46' ' ' VAL . 35.2 t80 -89.59 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -80.63 -178.19 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 144.48 90.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.75 21.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.458 1.767 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.5 p -89.12 48.97 1.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.05 -43.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.8 177.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.549 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -95.95 -177.23 36.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.9 mt -67.23 -45.48 50.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.447 1.762 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -49.83 -33.69 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 62' ' ' GLY . 10.3 mt -63.32 -50.83 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.42 -38.13 88.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -49.51 -38.57 30.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.611 HG13 HG11 ' A' ' 53' ' ' VAL . 4.1 mt -69.89 -62.81 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.27 -49.55 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -39.91 -40.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -112.45 53.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -83.62 -8.57 59.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.89 -26.32 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -80.41 -35.76 34.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 69' ' ' ILE . 26.2 mt -54.65 143.38 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.64 150.13 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.594 ' C ' HD12 ' A' ' 79' ' ' ILE . 7.2 m-85 -110.74 124.53 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.748 HG21 ' OH ' ' A' ' 45' ' ' TYR . 1.1 mp -102.92 119.05 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mm -116.36 111.68 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.24 -36.14 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.67 81.47 40.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.31 12.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.93 -18.62 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -92.7 -8.57 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -86.4 -34.54 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.02 -43.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.5 m -52.47 -46.09 66.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -64.01 -53.55 48.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 86' ' ' PHE . 3.1 mt -56.24 -32.71 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -55.96 -50.75 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.2 mttt -38.91 -61.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -54.71 41.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CB ' HD11 ' A' ' 70' ' ' LEU . 2.0 mtpt -50.98 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 16' ' ' PHE . 86.3 t -43.53 -46.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.47 -47.94 63.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -67.93 -41.98 81.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.5 tp -45.97 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.736 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.3 m-85 -48.19 -64.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.669 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.6 m120 -40.66 -64.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -61.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 8.1 mmmt -43.86 -40.97 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.7 t -43.87 -70.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.326 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.12 -45.52 81.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -40.48 14.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -52.7 -57.74 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.71 -14.47 62.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.51 69.92 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -126.77 164.01 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.66 -9.63 37.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -112.58 -175.06 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -100.96 170.71 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 9.3 t -150.63 119.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -40.19 121.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.736 HG21 ' HB3' ' A' ' 16' ' ' PHE . 55.8 t -65.54 112.81 9.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . 70.2 m-85 -35.74 -35.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -54.95 -53.91 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 33' ' ' PRO . 22.9 mt -51.41 -38.69 54.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 76.9 m-85 -79.36 -24.69 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' PHE . 5.1 mm-40 -79.41 -28.7 41.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -97.08 -39.0 9.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.488 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 22.9 m-85 -128.76 71.33 81.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -75.0 -27.85 9.66 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.05 -22.7 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.48 -37.16 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.568 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 43.3 m-85 -120.32 119.97 34.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.878 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 50.0 p90 -161.2 154.41 21.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.816 HG21 ' CE1' ' A' ' 55' ' ' PHE . 15.1 t -103.06 146.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -129.13 142.35 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.34 -20.31 9.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -48.91 151.28 2.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.82 141.05 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.15 10.61 59.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.711 HG11 HG13 ' A' ' 69' ' ' ILE . 41.7 t -127.98 95.4 34.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.54 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CE1' HG21 ' A' ' 46' ' ' VAL . 46.7 t80 -96.36 39.12 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -76.91 -178.82 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -62.14 150.5 83.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.06 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 p -72.51 58.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.43 -47.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -53.52 176.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -84.25 -177.31 51.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -68.53 -44.92 35.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -36.07 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.4 mt -60.11 -57.38 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.18 -45.73 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -44.37 -50.36 9.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.711 HG13 HG11 ' A' ' 53' ' ' VAL . 4.5 mt -54.07 -60.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 8' ' ' LEU . 5.2 mt -43.85 -58.22 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -39.15 -33.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -116.47 54.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.2 pttt -88.89 -13.67 38.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.62 -31.77 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -29.41 63.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.4 HG23 ' CG1' ' A' ' 46' ' ' VAL . 37.9 mt -61.47 147.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.5 tttt -150.68 148.44 28.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.56 ' C ' HD13 ' A' ' 79' ' ' ILE . 2.8 m-85 -103.4 127.27 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.878 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.2 mm -106.73 132.74 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.45 HG23 ' CE1' ' A' ' 44' ' ' PHE . 1.5 mt -138.51 111.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.5 -12.49 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.8 mttt -139.35 80.88 21.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -10.17 21.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.04 -19.4 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.488 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 92.8 mtp -93.06 -7.05 46.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.16 -34.11 16.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -48.76 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -48.83 -49.17 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.78 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mt -51.95 -32.03 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 tttp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 70' ' ' LEU . 1.1 mm? -53.47 -49.66 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 48.4 mttt -38.32 -59.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.1 79.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.589 HG13 HG21 ' A' ' 69' ' ' ILE . 22.8 t -43.97 -37.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 7.3 mm-40 -58.89 -60.33 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.69 -36.07 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.6 tp -47.86 -70.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 32' ' ' VAL . 21.5 m-85 -45.83 -63.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.461 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.8 m120 -39.99 -63.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -54.55 9.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 12.3 mmtt -50.07 -54.83 17.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 41.7 t -42.14 -66.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.79 -42.99 7.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -35.39 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -58.72 -46.16 87.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.656 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.3 mm? -71.69 -14.45 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.6 28.41 12.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 HG21 ' A' ' 30' ' ' VAL . 58.9 mt -96.51 167.84 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 9.39 30.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -126.43 -178.09 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -88.5 156.71 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 26' ' ' LEU . 30.7 t -149.71 124.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 2.1 ttpt -40.91 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 16' ' ' PHE . 46.0 t -107.89 107.07 59.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.04 66.35 6.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -41.29 -27.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -66.46 -53.04 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -27.85 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -85.2 -26.73 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 39' ' ' SER . 2.7 pt-20 -84.04 -46.2 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 44.3 m -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -133.44 70.88 76.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 2.4 tt0 -86.97 44.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -172.17 -43.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 56.7 m-85 -110.77 125.68 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 10.9 p90 -170.87 155.29 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.74 HG21 ' CE1' ' A' ' 55' ' ' PHE . 78.3 t -104.13 145.46 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.2 mt-10 -127.43 169.51 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.61 -26.92 15.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 76' ' ' ILE . 31.7 mt -40.9 151.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.4 Cg_endo -75.07 127.88 10.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.51 131.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.79 -8.93 78.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.561 HG11 HG13 ' A' ' 69' ' ' ILE . 49.7 t -115.13 107.35 49.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -167.67 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.74 ' CE1' HG21 ' A' ' 46' ' ' VAL . 37.3 t80 -107.7 37.04 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 177.45 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -57.46 147.99 56.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.487 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.96 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -56.81 -18.02 11.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.16 -33.66 38.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 69' ' ' ILE . 16.9 m-85 -69.52 169.23 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.675 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -90.41 -174.43 44.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.9 mt -64.79 -45.7 75.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -57.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 1.3 ttm-85 -46.54 -33.14 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 62' ' ' GLY . 10.4 mt -64.63 -57.45 9.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -46.86 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -42.93 -51.99 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 61' ' ' PHE . 3.7 mt -52.07 -60.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 8' ' ' LEU . 7.4 mt -42.95 -56.47 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -38.54 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 76' ' ' ILE . 90.6 m-20 -119.4 57.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 74' ' ' ALA . 41.3 pttt -87.83 -49.82 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 73' ' ' LYS . . . -67.89 -37.74 82.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -64.51 -50.29 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 72' ' ' ASN . 8.6 mt -40.91 145.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -149.32 143.62 25.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.638 ' C ' HD12 ' A' ' 79' ' ' ILE . 5.2 m-85 -106.03 128.34 53.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.818 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -106.12 121.31 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.515 HG13 ' HB1' ' A' ' 23' ' ' ALA . 2.6 mm -122.21 111.49 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -90.7 -35.68 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 2.7 mmtt -117.63 80.57 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.762 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.27 -12.55 57.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.1 mmm -90.01 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.8 m-85 -82.26 -28.36 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 90' ' ' ILE . 1.0 OUTLIER -41.44 -40.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.2 m -59.82 -44.39 94.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -71.2 -38.93 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 24' ' ' LEU . 74.2 mt -59.22 -22.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.2 tttt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.6 mt -52.84 -56.1 18.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -44.94 -59.7 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.07 58.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -50.19 -57.35 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.518 HG12 ' CE2' ' A' ' 16' ' ' PHE . 90.7 t -58.77 -43.65 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -49.51 -48.72 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.65 -45.41 83.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.973 HD12 ' HD3' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -41.36 -61.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.862 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.4 m-85 -53.21 -37.9 62.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.704 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.1 m-80 -65.71 -51.14 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.81 -69.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.973 ' HD3' HD12 ' A' ' 15' ' ' LEU . 14.1 mptt -39.39 -48.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.59 ' HB2' HG22 ' A' ' 32' ' ' VAL . 7.9 t -48.4 -63.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.66 -32.79 32.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.31 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -58.57 -45.16 89.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.2 mm? -69.0 -19.18 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.06 37.43 4.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.408 HD13 HE21 ' A' ' 28' ' ' GLN . 37.7 mt -113.21 169.45 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -111.45 10.91 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.408 HE21 HD13 ' A' ' 26' ' ' LEU . 2.6 pm0 -118.81 178.87 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -93.33 146.02 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -137.86 126.45 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.67 121.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.862 HG21 ' HB3' ' A' ' 16' ' ' PHE . 76.5 t -68.39 113.13 13.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -75.01 72.94 4.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -51.08 -22.8 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.8 -28.06 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 36' ' ' LEU . 15.3 mt -76.1 -32.6 59.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 84.6 m-85 -83.76 -34.98 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.0 pt-20 -67.74 -47.41 69.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 1.9 m -74.52 -41.86 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -127.08 72.05 76.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -19.42 17.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.15 -22.0 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -95.3 -38.57 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.521 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 58.1 m-85 -123.46 135.95 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.873 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 25.1 p90 -171.32 156.57 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.558 HG23 ' CE2' ' A' ' 55' ' ' PHE . 74.8 t -107.65 145.63 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -123.65 175.5 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.99 -25.45 9.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.0 mt -42.68 149.95 0.45 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.96 159.61 41.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.9 pt-20 -57.3 144.36 36.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.85 14.85 46.55 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 51' ' ' GLU . 21.3 t -127.14 95.08 37.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 46' ' ' VAL . 7.2 t80 -97.85 34.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.91 -178.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -64.71 146.08 98.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.66 21.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.3 m -92.63 50.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.45 -43.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -47.27 158.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.07 164.68 54.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 93.0 mt -56.85 -44.35 99.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.97 -44.79 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -50.77 -40.99 56.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mt -52.18 -50.4 61.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.1 -35.58 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -53.72 -40.32 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.649 HG13 HG11 ' A' ' 53' ' ' VAL . 4.9 mt -66.82 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -41.49 -49.98 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -39.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -112.82 54.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.9 pttt -91.32 0.3 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.89 -18.46 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -94.42 -28.8 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 18.9 mt -52.99 147.82 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.95 146.94 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.623 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 4.2 m-85 -111.41 123.08 49.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.873 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.2 mp -97.97 123.82 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.5 mm -123.29 111.58 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -89.26 -39.3 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -120.64 86.93 40.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.52 4.47 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.92 -17.87 11.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 94.2 mtp -86.64 -20.24 28.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.6 m-85 -82.24 -33.04 29.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.5 OUTLIER -40.3 -48.7 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 m -45.57 -53.19 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.39 -58.17 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 87' ' ' GLU . 6.2 mt -47.33 -42.59 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 70' ' ' LEU . 1.4 mm? -49.07 -49.65 40.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -38.47 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.39 -56.8 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -56.38 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 16' ' ' PHE . 24.0 t -56.99 -36.89 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.5 -67.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -56.3 -36.07 68.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.3 tp -46.48 -66.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.743 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.6 m-85 -50.77 -61.59 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.9 m120 -42.45 -61.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.68 -59.99 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 17.8 mmtt -47.49 -54.04 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -42.25 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.01 -41.67 11.07 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -34.74 78.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -62.07 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.772 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.3 mm? -76.58 -17.15 59.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.21 41.1 4.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -115.99 170.63 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.24 -12.14 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -98.94 -175.43 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -100.76 149.65 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' LYS . 51.0 t -136.86 125.86 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -40.24 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.743 HG21 ' HB3' ' A' ' 16' ' ' PHE . 41.7 t -105.36 107.27 58.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 64.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -39.14 -29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -66.18 -57.78 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 mt -46.92 -27.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' CA ' ' A' ' 41' ' ' PRO . 42.9 m-85 -84.37 -40.29 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 39' ' ' SER . 6.2 pt-20 -70.14 -47.37 61.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.518 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 5.8 m -70.72 -40.78 72.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.1 69.75 81.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.432 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.01 -25.44 11.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -1.2 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.43 -40.29 2.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -125.1 118.46 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.895 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 29.5 p90 -152.57 154.8 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.73 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 56.0 t -105.17 146.58 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -126.11 174.0 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -26.15 9.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.1 mt -40.78 150.04 0.31 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.59 24.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -52.01 126.18 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.57 70.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.445 HG11 HG13 ' A' ' 69' ' ' ILE . 90.0 t -122.79 101.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.73 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.1 t80 -85.88 56.8 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -179.9 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.4 146.31 91.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 p -82.23 52.46 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.5 -43.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.421 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 15.5 m-85 -52.62 175.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.552 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -90.48 -179.19 43.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 14.0 mt -67.42 -44.8 47.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.03 -52.73 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm180 -49.01 -34.79 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.6 mt -60.34 -56.65 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.64 -36.98 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -39.01 57.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.445 HG13 HG11 ' A' ' 53' ' ' VAL . 5.5 mt -66.42 -56.31 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 8' ' ' LEU . 6.1 mt -43.64 -49.94 7.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 mtp180 -38.4 -36.38 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.629 ' O ' HD12 ' A' ' 76' ' ' ILE . 79.4 m-20 -113.08 55.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.5 pttt -86.7 -24.39 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.89 -39.79 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.89 -43.41 96.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 72' ' ' ASN . 10.4 mt -43.56 139.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -150.4 140.77 22.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.695 ' C ' HD12 ' A' ' 79' ' ' ILE . 3.9 m-85 -103.66 138.2 40.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.895 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -110.3 122.59 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.0 mm -121.65 111.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -88.28 -36.55 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -127.34 90.94 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.85 10.57 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mmm -81.5 -11.09 59.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.3 m-85 -93.21 -34.31 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -39.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 m -55.35 -42.75 74.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -73.25 -44.32 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.772 HD11 ' HG ' ' A' ' 24' ' ' LEU . 32.1 mt -54.3 -28.29 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 12' ' ' VAL . 48.5 mt -48.69 -50.47 33.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 20.4 mttt -53.23 -58.7 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -42.22 61.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 8' ' ' LEU . 52.2 t -61.64 -28.99 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 10.3 mm-40 -62.15 -57.14 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.5 tp -51.68 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.2 m-85 -45.01 -60.14 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -42.51 -66.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -62.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.5 mmtt -40.79 -51.06 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -42.55 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.18 -40.55 7.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -34.82 79.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.713 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -60.46 -43.27 97.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 86' ' ' PHE . 1.9 mm? -73.16 -13.12 61.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 37.4 6.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 mt -111.8 169.02 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -108.63 13.33 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -122.5 -179.41 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.74 156.18 17.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' LYS . 23.6 t -150.82 123.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.94 152.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -104.13 111.03 65.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.779 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.99 64.74 6.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -39.74 -34.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -57.57 -54.8 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.197 HD23 ' CE2' ' A' ' 44' ' ' PHE . 3.8 mp -46.66 -44.33 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -68.12 -24.71 65.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' ALA . 8.4 mm-40 -87.19 -57.91 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -68.78 -36.68 78.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 m-85 -126.07 71.02 68.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -25.96 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.72 44.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.76 -45.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 1.197 ' CE2' HD23 ' A' ' 36' ' ' LEU . 41.5 m-85 -115.71 115.79 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.878 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 49.7 p90 -158.29 150.67 22.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 78' ' ' PHE . 40.7 t -105.4 130.48 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.9 mt-10 -111.19 171.05 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.24 -31.28 7.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.5 mt -40.53 150.81 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 161.5 38.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -59.41 143.91 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.63 15.28 53.44 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 69' ' ' ILE . 59.7 t -128.99 92.43 39.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.0 t80 -92.42 38.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 mmm-85 -71.52 178.23 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -66.2 147.6 98.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.05 -39.5 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 m -73.11 58.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.26 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.93 178.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -93.03 173.64 34.86 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.463 1.102 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 28.5 mt -61.65 -44.33 91.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.93 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -34.23 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.9 mt -60.33 -54.84 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.28 -36.63 75.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.77 -41.01 61.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.674 HG13 HG11 ' A' ' 53' ' ' VAL . 6.1 mt -70.59 -59.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -43.82 -47.29 8.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -42.42 -42.97 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -109.16 53.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -86.43 -8.41 57.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.65 -27.71 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -79.63 -35.15 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.48 HG23 ' CG1' ' A' ' 46' ' ' VAL . 33.2 mt -53.12 147.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -150.07 146.39 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.713 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 4.9 m-85 -107.85 119.73 40.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.878 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 4.1 mm -94.42 127.62 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 86' ' ' PHE . 2.4 mm -128.61 111.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -99.02 -17.74 18.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 24.8 mttt -131.19 80.97 67.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.89 10.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.49 -30.56 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.0 mmm -78.35 -21.48 49.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.531 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.6 m-85 -78.77 -28.69 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -44.88 10.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -55.5 -41.28 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.74 66.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.76 -27.23 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 12' ' ' VAL . 84.1 mt -40.7 -55.34 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLU . 7.7 mttt -44.2 -59.74 2.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -49.45 60.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -57.7 -44.22 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 8' ' ' LEU . 48.8 t -68.11 -33.12 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.8 mm-40 -60.07 -51.18 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -44.93 -68.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.581 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.8 m-85 -49.88 -61.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.602 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 5.0 m120 -40.43 -62.75 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.87 -54.03 13.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 7.2 mmtt -48.29 -42.08 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.793 ' HB3' HG13 ' A' ' 30' ' ' VAL . 8.4 t -61.89 -60.28 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.542 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -55.65 -23.02 34.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.53 -35.26 24.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.63 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.7 mm? -68.01 -19.73 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 43.73 2.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.28 170.6 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 9.6 mttm -113.12 22.88 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 1.6 pm0 -118.98 171.99 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.602 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -95.19 160.78 14.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.793 HG13 ' HB3' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -161.85 119.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.78 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.581 HG21 ' HB3' ' A' ' 16' ' ' PHE . 42.7 t -99.46 110.73 59.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 76.99 3.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -53.92 -18.63 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.85 60.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 36' ' ' LEU . 8.2 mt -80.43 -37.35 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 90.7 m-85 -79.96 -35.37 37.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.8 pt-20 -63.84 -47.22 81.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.502 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 46.5 m -76.62 -39.26 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -127.05 70.74 75.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -75.01 -23.73 13.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.53 -43.5 80.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.73 -53.08 7.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 36.8 m-85 -103.54 138.25 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.95 ' OH ' HG21 ' A' ' 79' ' ' ILE . 38.7 p90 -178.5 152.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.833 HG21 ' CE1' ' A' ' 55' ' ' PHE . 50.8 t -105.92 133.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -117.94 163.23 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.55 45.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.6 mt -42.81 150.77 0.42 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 160.97 39.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.3 mt-10 -58.56 145.23 40.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.26 17.79 32.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.602 HG11 HG13 ' A' ' 69' ' ' ILE . 60.4 t -129.83 92.53 36.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.95 4.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 46' ' ' VAL . 31.6 t80 -93.8 53.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -88.08 178.37 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 147.66 98.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.8 17.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -84.44 49.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -43.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -49.13 164.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -87.57 -174.93 48.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.4 mt -66.3 -45.49 60.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.506 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -49.17 -32.23 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 62' ' ' GLY . 9.7 mt -63.3 -49.01 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.49 -38.51 81.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -46.31 -40.49 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.602 HG13 HG11 ' A' ' 53' ' ' VAL . 4.4 mt -69.64 -59.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.6 -45.78 6.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -47.11 -37.6 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -117.8 53.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -81.92 -32.3 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.85 36.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.63 -39.11 91.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 23.2 mt -52.62 151.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.7 tttt -150.72 146.09 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' C ' HD13 ' A' ' 79' ' ' ILE . 8.9 m-85 -110.46 118.08 35.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.95 HG21 ' OH ' ' A' ' 45' ' ' TYR . 3.6 mm -95.12 132.48 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.69 111.52 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -98.52 -20.01 17.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -127.51 77.41 75.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 93.0 mtp -87.77 -10.2 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -91.29 -24.62 19.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 -47.86 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -48.95 -43.11 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -69.69 -62.29 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.6 mt -40.7 -42.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.513 HD22 HD13 ' A' ' 70' ' ' LEU . 96.4 mt -48.75 -48.79 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.4 tttt -45.44 -47.7 13.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.36 -56.98 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -43.56 -50.0 7.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 58' ' ' PRO . 69.8 t -64.59 -41.43 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 15.7 mt-10 -57.73 -55.1 39.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -40.28 90.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -45.78 -67.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -46.59 -57.28 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -45.02 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.7 7.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.6 mmtt -56.0 -45.7 78.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HB3' HG13 ' A' ' 30' ' ' VAL . 11.8 t -46.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.573 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -51.99 -20.13 6.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -36.94 36.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB2' ' CB ' ' A' ' 78' ' ' PHE . . . -58.02 -39.63 78.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.8 mm? -71.68 -7.68 49.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.42 30.66 21.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.647 HD13 ' NE2' ' A' ' 28' ' ' GLN . 4.9 mt -114.48 170.98 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -112.28 23.87 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.647 ' NE2' HD13 ' A' ' 26' ' ' LEU . 5.4 pm0 -114.0 169.67 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.83 140.58 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.573 HG12 ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -146.33 119.17 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 149.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.537 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 70.6 t -98.9 114.84 65.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HG2' HD12 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.02 76.37 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -50.69 -25.95 4.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.52 75.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 36' ' ' LEU . 14.1 mt -70.23 -40.52 74.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 96.6 m-85 -75.02 -15.86 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -91.54 -35.86 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -84.98 -36.09 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -127.9 72.3 78.79 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -17.71 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.28 36.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -161.81 -45.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 40.2 m-85 -112.15 127.68 56.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 79' ' ' ILE . 10.1 p90 -171.9 151.79 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.629 HG21 ' CE1' ' A' ' 55' ' ' PHE . 84.0 t -98.67 149.7 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mt-10 -130.08 164.52 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.7 -26.23 22.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.7 mt -42.65 151.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.77 32.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.564 1.823 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.895 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -58.8 152.11 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.85 22.28 2.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 51' ' ' GLU . 46.9 t -130.8 91.7 36.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.91 9.3 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.629 ' CE1' HG21 ' A' ' 46' ' ' VAL . 32.9 t80 -90.07 36.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 mmt180 -65.55 174.66 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -62.11 150.51 83.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.614 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.04 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -69.58 60.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.73 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.492 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 8.9 m-85 -51.81 161.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.422 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -72.84 -178.29 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 27.0 mt -71.64 -45.24 12.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -44.23 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.492 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -51.63 -41.43 61.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.554 ' CD2' HG21 ' A' ' 12' ' ' VAL . 8.9 mt -54.74 -49.26 71.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.22 96.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -52.66 -39.76 62.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.52 HG13 HG11 ' A' ' 53' ' ' VAL . 5.3 mt -67.23 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.513 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -46.34 -51.35 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.27 50.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 74' ' ' ALA . 2.3 ptpp? -75.38 -49.38 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 73' ' ' LYS . . . -64.37 -44.05 92.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -55.44 -46.53 76.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 19.0 mt -46.01 147.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.4 tttt -150.61 135.18 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.551 ' O ' HD13 ' A' ' 79' ' ' ILE . 7.9 m-85 -92.6 132.34 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 45' ' ' TYR . 14.7 mm -112.51 135.58 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 44' ' ' PHE . 1.6 mt -140.1 112.98 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -97.2 -11.02 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 43.7 mttt -137.43 72.6 50.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -79.12 -19.68 50.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.1 mmm -99.3 -2.76 35.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.88 -34.03 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.61 -53.31 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.2 m -42.1 -50.29 4.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.62 61.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.4 mt -55.83 -18.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mttt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.925 HD12 HD13 ' A' ' 70' ' ' LEU . 1.2 mm? -54.95 -41.49 71.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.14 -57.01 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLU . 1.6 tt0 -66.94 -64.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' CB ' HD21 ' A' ' 70' ' ' LEU . 1.1 mtpp -38.78 -48.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.736 HG23 HD11 ' A' ' 70' ' ' LEU . 77.3 t -65.18 -46.95 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' GLN . 3.2 mt-10 -47.98 -52.71 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' LEU . 9.8 m-80 -63.84 -46.79 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 73' ' ' LYS . 1.4 tp -40.09 -65.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 12' ' ' VAL . 23.1 m-85 -51.44 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.733 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.2 m120 -44.01 -60.42 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -59.98 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 17.5 mmtt -41.52 -52.62 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -47.06 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.43 -33.89 8.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -44.62 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.56 88.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.35 39.18 4.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.32 170.81 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.84 12.6 27.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -126.24 -179.34 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -94.87 157.61 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.405 HG11 HG13 ' A' ' 90' ' ' ILE . 17.1 t -143.6 120.02 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.75 123.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 16' ' ' PHE . 69.0 t -69.87 115.52 34.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' PRO . 45.0 m-85 -34.16 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.3 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' PRO . 61.8 mt -48.29 -38.11 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 61.5 m-85 -78.43 -27.83 46.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -72.79 -39.46 66.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -88.9 -35.25 16.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -128.8 73.11 81.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.055 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.97 -36.13 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.44 -35.66 76.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -82.77 -49.38 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.574 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 34.8 m-85 -111.37 129.42 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.79 ' OH ' HG21 ' A' ' 79' ' ' ILE . 17.9 p90 -170.45 154.59 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 55' ' ' PHE . 98.2 t -105.11 127.31 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -107.92 163.62 12.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 -25.58 26.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 55' ' ' PHE . 31.3 mt -40.84 152.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.2 Cg_endo -74.97 152.09 40.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.34 140.15 34.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.3 10.91 58.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.688 HG11 HG13 ' A' ' 69' ' ' ILE . 40.1 t -127.96 93.41 39.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -175.96 2.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 11.4 t80 -90.56 36.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -178.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.74 149.7 97.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.96 -47.59 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 m -71.24 60.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.61 -48.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -50.87 162.91 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.15 -179.3 21.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -69.38 -44.61 26.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.0 Cg_endo -75.06 -51.63 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.438 1.757 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.95 -39.77 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 7.1 mt -56.36 -58.63 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.0 -42.93 50.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -47.99 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.688 HG13 HG11 ' A' ' 53' ' ' VAL . 3.9 mt -44.23 -54.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.925 HD13 HD12 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -51.52 -58.15 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -43.05 -27.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.51 ' O ' HD12 ' A' ' 76' ' ' ILE . 75.1 m-20 -116.63 47.79 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pttp -95.98 1.08 52.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.87 -41.35 6.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HD3' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -75.61 -37.48 59.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 72' ' ' ASN . 11.2 mt -43.65 144.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 16.1 tttt -150.61 153.94 36.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.655 ' C ' HD13 ' A' ' 79' ' ' ILE . 5.1 m-85 -114.17 128.97 56.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.79 HG21 ' OH ' ' A' ' 45' ' ' TYR . 3.2 mm -101.83 138.38 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -139.16 111.34 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -100.29 -10.71 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -145.79 78.72 11.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.92 20.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.789 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.75 -38.55 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.58 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.408 ' C ' HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -80.66 -36.37 32.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -50.75 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.6 m -46.37 -44.04 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.42 -57.98 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 86' ' ' PHE . 3.3 mt -47.83 -41.73 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.502 ' H ' HD22 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -56.5 -50.8 70.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mttt -38.16 -56.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -47.64 84.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.63 -71.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG12 ' CE2' ' A' ' 16' ' ' PHE . 53.1 t -42.77 -41.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.87 -53.72 44.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -64.08 -44.08 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.9 tp -41.52 -65.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.783 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.1 m-85 -51.14 -63.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HA ' HG23 ' A' ' 32' ' ' VAL . 6.1 m120 -40.69 -60.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -50.91 -62.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.5 mmtt -40.3 -52.37 2.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.507 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -43.64 -65.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.298 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' LEU . . . -50.39 -28.05 13.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.18 -40.48 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.15 -46.31 82.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 86' ' ' PHE . 2.8 mm? -71.09 -16.78 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.38 57.8 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.442 HD13 HE21 ' A' ' 28' ' ' GLN . 28.5 mt -127.29 168.92 14.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.61 13.71 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.442 HE21 HD13 ' A' ' 26' ' ' LEU . 3.5 pt20 -126.23 -177.91 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -96.12 157.48 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' LYS . 17.0 t -148.29 121.77 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -39.89 133.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 16' ' ' PHE . 44.4 t -82.18 114.04 48.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.715 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.96 61.12 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -39.21 -41.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.65 -51.78 45.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 33' ' ' PRO . 7.0 mp -50.73 -45.38 58.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -72.8 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.8 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -35.27 76.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -123.63 73.98 53.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -26.91 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.92 47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 51.2 m-20 -169.75 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.666 ' CE2' HD23 ' A' ' 36' ' ' LEU . 37.0 m-85 -120.33 117.56 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.606 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 29.0 p90 -158.14 155.12 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 64.3 t -109.38 133.7 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mt-10 -117.35 138.42 51.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.35 -25.69 5.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.7 mt -43.82 152.71 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.59 38.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.18 139.21 36.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.65 6.1 65.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.774 HG11 HG13 ' A' ' 69' ' ' ILE . 35.2 t -126.14 95.06 39.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.06 3.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.3 t80 -90.33 37.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.86 -178.59 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -68.66 149.91 97.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -46.13 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.0 p -69.26 61.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.13 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 14.6 m-85 -55.33 161.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.65 -179.62 8.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 mt -70.79 -44.94 16.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -48.75 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -41.29 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 8.5 mt -55.74 -59.11 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.06 -43.83 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -47.66 -64.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.774 HG13 HG11 ' A' ' 53' ' ' VAL . 5.9 mt -39.92 -53.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 8' ' ' LEU . 2.0 mt -55.06 -56.93 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -38.72 -37.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -107.89 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -86.53 -13.21 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.55 -39.92 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -69.04 -35.06 76.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.52 143.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.4 tttp -150.9 135.36 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 10.5 m-85 -95.96 128.35 42.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.606 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 11.8 mm -111.81 131.15 63.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.428 HG23 ' CE1' ' A' ' 44' ' ' PHE . 1.5 mt -128.01 111.59 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -92.1 -23.73 19.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 13.6 mttm -128.55 72.96 80.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.52 20.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -71.35 -13.38 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mmm -96.97 -25.61 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.541 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.1 m-85 -66.76 -26.69 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -41.75 -61.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.2 m -49.32 -32.11 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -76.52 -45.25 31.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 87' ' ' GLU . 28.6 mt -56.94 -31.96 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.524 HD22 ' CD1' ' A' ' 70' ' ' LEU . 15.9 mt -42.96 -59.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 66' ' ' LEU . 8.2 mttt -42.26 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -51.76 63.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.74 -58.14 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.62 HG12 ' CE2' ' A' ' 16' ' ' PHE . 98.5 t -58.68 -27.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.75 -69.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -52.27 -34.83 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.17 -58.82 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.3 m-85 -57.03 -48.52 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.628 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.6 m120 -52.81 -61.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -59.37 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.64 -44.41 26.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 1.015 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -43.82 -71.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.66 -43.69 8.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -35.92 68.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.53 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -60.08 -55.53 32.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 90' ' ' ILE . 1.9 mp -70.75 -13.52 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.59 62.33 1.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.493 HD12 HG21 ' A' ' 30' ' ' VAL . 73.5 mt -123.78 164.48 19.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -101.44 9.47 41.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -131.23 -175.56 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -93.71 164.07 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG21 HD12 ' A' ' 26' ' ' LEU . 26.6 t -151.68 119.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 115.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.015 HG22 ' SG ' ' A' ' 20' ' ' CYS . 59.7 t -75.63 116.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 72.38 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -45.29 -23.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.38 -49.82 31.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.0 mt -49.06 -37.04 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 75.3 m-85 -75.73 -31.53 59.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.44 -36.19 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -46.0 10.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -124.08 73.1 56.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.96 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.48 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.13 -51.0 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.518 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.0 m-85 -107.78 128.78 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.91 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 25.3 p90 -168.53 154.63 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.601 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 33.2 t -110.89 137.72 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.6 mm-40 -114.29 166.47 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.8 -29.97 9.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.4 mt -40.62 152.3 0.24 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 176.33 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.843 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.4 tt0 -69.09 148.76 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.34 25.21 8.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 51' ' ' GLU . 60.4 t -130.9 96.32 23.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 179.84 5.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 10.2 t80 -96.42 38.43 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -77.93 -173.25 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 151.49 70.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -26.04 11.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.7 p -73.33 57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.961 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.53 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.622 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -100.13 -177.45 30.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.4 mt -69.4 -45.14 27.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.98 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.524 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -49.19 -31.11 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 62' ' ' GLY . 11.5 mt -65.52 -48.84 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG2' HD21 ' A' ' 8' ' ' LEU . 2.2 mm-40 -65.78 -39.87 91.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -45.5 -43.63 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.663 HG13 HG11 ' A' ' 53' ' ' VAL . 4.3 mt -65.98 -59.33 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.524 ' CD1' HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -40.38 -51.78 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.2 mtm180 -37.75 -41.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -117.06 53.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -79.14 -39.61 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.78 -46.36 37.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -53.93 -47.1 71.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.469 HG23 ' CG1' ' A' ' 46' ' ' VAL . 13.3 mt -42.39 151.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 139.7 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -101.09 134.01 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.91 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 18.6 mm -111.6 125.26 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.53 HG13 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -126.1 111.25 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -99.44 -14.63 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -139.56 77.2 28.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.82 17.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.18 -34.98 25.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 92.6 mtp -74.61 -9.77 58.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -83.87 -24.72 30.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -38.46 -43.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 m -52.61 -52.46 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.04 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.478 HD11 HD22 ' A' ' 24' ' ' LEU . 72.1 mt -41.54 -42.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tttt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.507 HD22 HD13 ' A' ' 70' ' ' LEU . 82.9 mt -40.95 -53.37 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -44.23 -61.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -45.37 82.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.38 -68.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.599 HG12 ' CE2' ' A' ' 16' ' ' PHE . 58.6 t -47.09 -26.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -68.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.68 -33.37 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.1 tp -50.84 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' A' ' 32' ' ' VAL . 25.5 m-85 -44.98 -53.0 8.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.752 ' HA ' HG23 ' A' ' 32' ' ' VAL . 2.8 m120 -51.73 -67.14 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -55.38 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE3' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -47.43 -53.57 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.48 -61.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.44 -43.12 27.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -42.19 80.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.32 -56.18 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.59 -14.92 63.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 71.41 1.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 30' ' ' VAL . 93.2 mt -129.03 160.42 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -96.51 5.8 50.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -131.11 -178.29 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.96 158.81 15.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 26' ' ' LEU . 15.5 t -139.55 120.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -43.51 117.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 17' ' ' ASN . 64.0 t -65.57 112.63 9.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 63.38 6.05 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -41.66 -38.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.21 69.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' O ' ' A' ' 85' ' ' MET . 21.9 mt -53.24 -46.28 69.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 88.4 m-85 -70.63 -18.69 62.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.97 -45.19 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -83.4 -37.53 23.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE2' ' CE ' ' A' ' 85' ' ' MET . 43.0 m-85 -126.4 73.23 73.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.98 -32.69 5.19 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.18 -36.23 83.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.17 -45.29 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.512 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 23.2 m-85 -116.53 124.5 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.763 ' OH ' HG21 ' A' ' 79' ' ' ILE . 37.2 p90 -161.0 151.91 18.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 55' ' ' PHE . 22.0 t -99.58 147.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.7 mm-40 -130.41 -174.25 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.87 27.32 66.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 55' ' ' PHE . 10.2 mt -80.38 154.87 74.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.549 ' O ' HG23 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.95 141.18 26.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 35.54 -146.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.55 33.07 3.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 50' ' ' PRO . 79.2 t -70.35 113.28 16.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.98 122.28 7.11 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.587 ' HB2' HD11 ' A' ' 49' ' ' LEU . 8.9 t80 -49.54 91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -126.34 -175.31 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -74.42 150.93 87.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -20.24 17.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.2 p -85.4 57.47 4.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -172.81 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.7 m-85 -54.66 -178.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.608 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -96.49 -177.1 35.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.2 mt -66.97 -45.12 53.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -30.79 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 62' ' ' GLY . 11.1 mt -66.52 -53.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.62 -38.94 75.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.233 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -48.09 -48.77 33.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.97 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.507 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -55.88 -56.65 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -40.13 -35.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -110.38 51.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.6 -6.52 59.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.72 -35.71 5.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -70.03 -37.18 75.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.402 HG22 ' HE3' ' A' ' 19' ' ' LYS . 42.8 mt -54.59 148.0 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -150.69 143.28 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.685 ' C ' HD13 ' A' ' 79' ' ' ILE . 11.0 m-85 -107.27 127.93 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.763 HG21 ' OH ' ' A' ' 45' ' ' TYR . 2.6 mm -100.92 137.34 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -137.43 111.49 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -101.18 -9.38 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -144.48 77.09 14.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.49 20.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.08 -22.88 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.528 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.4 mmm -95.94 -1.38 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.73 -31.37 17.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 90' ' ' ILE . 17.5 pt-20 -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 1.7 m -42.99 -36.44 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 -47.24 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 87' ' ' GLU . 12.5 mt -53.58 -32.3 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 70' ' ' LEU . 67.8 mt -40.78 -64.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.53 -61.73 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.72 -54.01 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -46.34 -58.46 3.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.73 HG12 ' CE2' ' A' ' 16' ' ' PHE . 41.6 t -56.98 -49.45 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -42.9 -50.39 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -49.03 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.0 tp -40.99 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.807 ' HB3' HG21 ' A' ' 32' ' ' VAL . 20.5 m-85 -43.31 -56.93 3.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.817 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -51.33 -51.09 57.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -50.3 -52.64 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 16.9 mmtt -55.17 -44.63 75.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 12.0 t -41.65 -69.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.245 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.45 40.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -40.52 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -53.32 -57.32 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.27 -14.65 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.23 70.71 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.25 166.82 16.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -98.68 12.26 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -138.28 177.87 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -92.93 167.06 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 40.4 t -149.53 123.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -42.4 124.94 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 16' ' ' PHE . 74.2 t -66.97 113.03 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' PRO . 56.5 m-85 -34.27 -35.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.62 -57.43 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 15.5 mt -47.78 -36.44 11.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -80.87 -25.68 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -73.48 -47.27 42.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 14.3 m -82.95 -41.8 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -122.84 74.8 47.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.64 -38.96 7.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -77.7 -47.7 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 45.4 m-85 -116.24 119.34 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.739 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 50.3 p90 -156.73 151.6 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.835 HG21 ' CE1' ' A' ' 55' ' ' PHE . 69.3 t -102.33 138.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.2 mt-10 -119.91 176.06 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.62 -29.1 6.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.0 mt -39.91 150.6 0.25 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.39 13.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -42.7 130.35 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.05 -19.41 52.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.7 HG11 HG13 ' A' ' 69' ' ' ILE . 87.9 t -102.29 110.0 61.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.835 ' CE1' HG21 ' A' ' 46' ' ' VAL . 37.4 t80 -98.5 37.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -71.38 -178.88 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -71.69 151.41 93.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.65 4.38 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -74.28 57.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -171.16 -44.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -50.9 177.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.57 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -93.12 -176.98 40.71 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.2 mt -69.27 -45.18 28.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -38.07 39.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 62' ' ' GLY . 9.2 mt -57.73 -49.63 75.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -46.0 -40.09 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.7 HG13 HG11 ' A' ' 53' ' ' VAL . 5.0 mt -73.87 -55.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -45.43 -49.89 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -38.81 -43.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.434 ' O ' HD12 ' A' ' 76' ' ' ILE . 90.7 m-20 -108.94 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.1 -11.92 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.29 -30.03 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -76.58 -34.5 58.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 72' ' ' ASN . 19.9 mt -51.72 145.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 145.58 26.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' HG22 ' A' ' 46' ' ' VAL . 3.3 m-85 -107.97 124.29 49.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.739 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 3.8 mm -93.61 132.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.587 HG13 ' HB1' ' A' ' 23' ' ' ALA . 3.3 mm -131.76 111.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -95.52 -28.82 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.22 82.13 66.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.33 -16.07 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.6 mtp -93.57 -8.95 39.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -86.12 -28.05 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -52.05 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 m -48.76 -40.13 27.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -67.25 -54.9 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -39.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.567 HD22 HD13 ' A' ' 70' ' ' LEU . 79.1 mt -40.22 -54.51 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -57.03 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.74 -47.78 79.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HD3' HD23 ' A' ' 8' ' ' LEU . 11.4 mttt -52.02 -63.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.592 HG12 ' HB3' ' A' ' 58' ' ' PRO . 53.4 t -54.01 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -52.33 -53.34 45.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -63.81 -44.03 94.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.6 tp -41.42 -65.97 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.45 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.4 m-85 -51.68 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -40.82 -54.84 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -59.42 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -48.01 -39.07 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -43.47 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.311 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.89 36.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -39.35 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -53.35 -57.78 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.408 ' CD2' HD11 ' A' ' 90' ' ' ILE . 1.6 mp -72.48 -13.88 61.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 65.31 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.0 mt -120.37 162.88 18.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -95.94 6.81 47.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -130.18 -175.21 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.42 ' C ' HG23 ' A' ' 30' ' ' VAL . . . -96.48 168.37 10.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.42 HG23 ' C ' ' A' ' 29' ' ' ALA . 38.2 t -151.88 124.78 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 143.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 16' ' ' PHE . 49.2 t -95.0 111.38 54.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.3 Cg_endo -75.03 62.3 5.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -38.95 -44.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -48.23 -54.93 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.794 HD23 ' CE2' ' A' ' 44' ' ' PHE . 6.8 mp -48.55 -49.12 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.2 -14.31 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' ALA . 1.1 mm-40 -95.96 -55.93 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -72.27 -30.95 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.462 ' CE2' ' CE ' ' A' ' 85' ' ' MET . 21.0 m-85 -128.97 67.79 78.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.2 17.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -165.43 -45.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.794 ' CE2' HD23 ' A' ' 36' ' ' LEU . 25.3 m-85 -111.72 108.06 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 6.6 p90 -145.58 162.64 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.533 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 79.9 t -115.37 126.88 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.4 mm-40 -107.32 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.07 -27.68 8.06 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 18.8 mt -39.95 154.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -47.83 123.33 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.6 5.81 53.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.61 95.83 37.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.97 6.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.1 t80 -38.33 108.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 12.2 mmt180 -140.58 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.33 152.47 91.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -47.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 p -69.29 61.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -173.53 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.5 m-85 -57.76 144.16 39.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.92 168.85 9.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.642 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 32.5 mt -57.71 -43.92 99.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 61' ' ' PHE . 5.2 ttp180 -48.6 -42.09 32.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD2' HG21 ' A' ' 12' ' ' VAL . 11.0 mt -55.6 -52.86 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.1 -44.7 87.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -43.14 -45.87 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 76' ' ' ILE . 3.4 mt -67.07 -52.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.567 HD13 HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -52.21 -40.86 62.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.29 -20.98 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -130.8 49.94 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -45.13 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.76 -45.29 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -54.43 -48.24 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.871 HD11 HG23 ' A' ' 69' ' ' ILE . 28.9 mt -46.35 141.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' GLU . 22.2 tttt -150.74 132.16 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -90.94 135.53 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.847 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 29.1 mm -114.66 132.86 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.37 110.99 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -100.0 -0.51 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 32.1 mttt -148.67 71.89 10.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.49 16.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.435 1.755 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.06 -22.0 62.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.462 ' CE ' ' CE2' ' A' ' 40' ' ' PHE . 1.4 mmm -96.39 -10.92 26.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -84.08 -29.61 26.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.13 -50.37 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 m -50.35 -44.69 54.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -41.84 78.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.408 HD11 ' CD2' ' A' ' 24' ' ' LEU . 62.9 mt -62.1 -29.27 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.6 ' H ' HD22 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -39.82 -49.66 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' LEU . 4.4 mttt -39.43 -59.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -50.24 70.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -71.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG12 ' CE2' ' A' ' 16' ' ' PHE . 59.3 t -42.48 -40.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.91 -54.56 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -63.92 -43.36 96.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.8 tp -41.59 -66.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.0 m-30 -49.69 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.4 m120 -41.35 -41.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -64.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 6.8 mmtt -44.85 -43.03 8.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HB2' HG22 ' A' ' 32' ' ' VAL . 54.0 t -42.59 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -38.39 30.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -49.21 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.8 61.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 24' ' ' LEU . 2.1 mm? -62.91 -19.72 64.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.45 34.57 7.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.408 HD12 HG21 ' A' ' 30' ' ' VAL . 72.3 mt -101.8 166.4 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 8.49 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.07 -176.1 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -91.58 162.36 14.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.408 HG21 HD12 ' A' ' 26' ' ' LEU . 57.7 t -148.43 126.06 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.37 121.94 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.502 HG22 ' HB2' ' A' ' 20' ' ' CYS . 63.4 t -75.07 114.54 36.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.749 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.04 63.78 6.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -43.88 -54.39 5.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.94 HD23 ' CE2' ' A' ' 44' ' ' PHE . 5.8 mp -48.34 -51.51 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.18 -13.04 32.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -98.75 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 38.2 m -68.0 -34.77 77.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' LEU . 39.8 m-85 -125.58 71.5 66.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.34 13.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 45.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -167.42 -48.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.94 ' CE2' HD23 ' A' ' 36' ' ' LEU . 39.6 m-85 -109.24 133.49 52.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.617 ' CE1' HG21 ' A' ' 79' ' ' ILE . 7.9 p90 -177.89 149.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.537 ' CG1' HG23 ' A' ' 76' ' ' ILE . 68.1 t -99.25 143.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.1 mm-40 -122.79 141.87 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.81 -23.95 9.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.1 mt -42.83 153.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 151.22 39.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -54.68 139.12 39.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.71 9.43 65.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.74 HG11 HG13 ' A' ' 69' ' ' ILE . 47.0 t -128.68 96.36 30.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -171.46 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.0 t80 -99.28 34.98 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.01 178.88 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 144.71 87.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.402 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.06 -16.04 20.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -93.28 51.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.93 -46.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -49.94 174.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.2 -178.27 51.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 10.5 mt -69.13 -44.47 27.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -51.42 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD3' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.94 -39.46 12.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 17.7 mt -56.6 -57.68 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.77 -43.02 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -50.43 -61.56 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.74 HG13 HG11 ' A' ' 53' ' ' VAL . 4.4 mt -40.91 -47.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -63.61 -54.56 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -40.81 -30.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 70' ' ' LEU . 72.5 m-20 -118.7 56.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -84.5 -48.49 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 73' ' ' LYS . . . -61.96 -43.23 99.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -46.06 91.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.537 HG23 ' CG1' ' A' ' 46' ' ' VAL . 14.1 mt -48.91 146.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.5 tttp -150.97 136.23 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 5.5 m-85 -92.27 129.76 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.617 HG21 ' CE1' ' A' ' 45' ' ' TYR . 17.2 mm -111.87 133.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.4 HD13 ' CZ ' ' A' ' 86' ' ' PHE . 1.7 mt -136.71 116.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.51 -5.34 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 30.3 mttt -142.67 72.47 20.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.39 21.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -24.71 66.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.448 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 87.5 mtp -87.15 -30.31 21.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.485 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 2.0 m-85 -64.98 -35.58 81.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.3 mt-10 -41.0 -54.44 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.2 m -45.64 -48.31 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.31 -58.63 7.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 87' ' ' GLU . 3.9 mt -48.15 -44.28 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mttp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.7 mt -40.77 -48.72 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -49.02 -63.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.83 68.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -62.23 -61.88 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.433 HG12 ' CE2' ' A' ' 16' ' ' PHE . 90.3 t -56.31 -32.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.71 -48.54 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -67.93 -38.31 82.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 12' ' ' VAL . 2.4 tp -46.46 -68.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HB3' HG21 ' A' ' 32' ' ' VAL . 21.4 m-30 -49.1 -60.78 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 5.9 m120 -42.9 -59.18 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.9 -48.11 5.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -36.35 26.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.86 -45.37 94.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.73 -51.24 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.0 mm? -63.22 -22.22 66.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 35.72 5.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -104.85 169.68 8.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.65 10.54 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -124.82 -177.82 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.534 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -92.39 153.3 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' LYS . 38.6 t -141.22 124.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -39.75 157.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 16' ' ' PHE . 38.9 t -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.764 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.95 63.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.416 1.745 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -41.45 -44.01 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.33 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.881 HD23 ' CE2' ' A' ' 44' ' ' PHE . 6.3 mp -50.67 -51.21 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -65.86 -9.78 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -99.39 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 2.0 m -72.93 -26.27 61.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.492 ' CE2' ' HE3' ' A' ' 85' ' ' MET . 24.3 m-85 -131.32 68.94 81.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -26.56 10.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -85.97 45.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -167.84 -42.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.881 ' CE2' HD23 ' A' ' 36' ' ' LEU . 38.7 m-85 -115.54 133.4 56.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.767 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 7.7 p90 -176.18 156.11 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.8 t -107.3 139.38 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 0.5 OUTLIER -116.38 169.98 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.01 -16.11 49.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 55' ' ' PHE . 28.1 mt -40.3 155.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.98 143.28 28.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.3 tt0 34.49 -146.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.89 32.58 3.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 50' ' ' PRO . 60.5 t -70.24 113.09 15.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.0 122.34 7.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.56 ' HB2' HD11 ' A' ' 49' ' ' LEU . 62.6 t80 -50.56 90.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' PRO . 1.7 mmm-85 -122.93 -174.25 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -70.88 143.9 89.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.81 21.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.3 t -89.8 50.25 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -167.04 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 7.7 m-85 -51.01 -179.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.6 172.16 27.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 37.2 mt -58.5 -44.01 98.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.553 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -47.76 -35.7 10.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.25 -54.22 43.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.43 -42.41 82.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.57 -51.64 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 76' ' ' ILE . 3.6 mt -57.47 -59.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.1 -57.24 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.64 -41.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -112.01 54.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -77.48 -49.27 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -45.31 79.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -55.26 -48.93 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 69' ' ' ILE . 11.7 mt -43.04 150.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -150.19 137.75 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.685 ' C ' HD12 ' A' ' 79' ' ' ILE . 5.7 m-85 -101.47 130.82 47.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -109.77 136.49 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.5 HD13 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -138.63 112.8 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -93.56 -27.2 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 23.4 mttp -123.81 75.79 56.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.09 16.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -23.54 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.492 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 80.5 mtp -88.27 -29.01 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' HD13 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -65.43 -36.03 82.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -46.64 -49.82 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -48.25 -38.16 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.76 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 87' ' ' GLU . 3.5 mt -49.34 -41.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 43.0 mt -49.12 -52.75 24.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -36.9 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -70.56 -68.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.69 HG12 ' CE2' ' A' ' 16' ' ' PHE . 57.9 t -48.29 -24.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -65.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -57.31 -32.15 66.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -50.81 -65.13 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.69 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.6 m-85 -53.21 -56.44 16.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.062 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.439 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.7 m-80 -48.06 -37.41 15.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 3.6 mmtt -53.16 -28.19 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.817 ' SG ' HG22 ' A' ' 32' ' ' VAL . 11.0 t -52.96 -71.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.534 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -50.6 -42.54 44.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -55.09 -56.23 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 90' ' ' ILE . 2.2 mp -64.03 -12.94 43.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 48.72 2.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -124.54 165.45 17.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -106.36 17.74 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -120.51 176.11 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -99.43 160.09 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 21' ' ' GLY . 1.3 p -163.42 124.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' VAL . 4.0 ttmt -38.43 155.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.817 HG22 ' SG ' ' A' ' 20' ' ' CYS . 67.5 t -117.88 123.34 29.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.797 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.0 66.86 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -41.02 -27.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 33' ' ' PRO . . . -63.22 -52.78 60.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.036 HD23 ' CE2' ' A' ' 44' ' ' PHE . 4.5 mp -49.81 -43.25 48.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.59 -15.84 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -97.48 -53.41 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -71.77 -31.79 66.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 22.6 m-85 -128.14 69.98 78.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -22.08 15.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.18 40.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -165.99 -44.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 1.036 ' CE2' HD23 ' A' ' 36' ' ' LEU . 30.6 m-85 -114.52 116.16 28.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.829 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 44.1 p90 -159.2 150.48 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.7 t -108.8 131.11 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -104.22 167.14 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.76 -33.86 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.481 HD23 HD11 ' A' ' 76' ' ' ILE . 23.1 mt -40.67 152.34 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.29 12.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.3 132.07 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.35 -16.29 56.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.837 HG11 HG13 ' A' ' 69' ' ' ILE . 48.6 t -107.14 103.86 49.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -174.0 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CE1' HG21 ' A' ' 46' ' ' VAL . 57.9 t80 -102.53 43.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -171.7 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 147.32 68.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -85.06 57.99 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.48 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 10.2 m-85 -59.23 -176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.69 168.73 20.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 57.9 mt -57.72 -43.97 99.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.512 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm-85 -49.49 -33.89 15.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.06 -55.77 28.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -40.77 77.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -44.3 -40.12 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.837 HG13 HG11 ' A' ' 53' ' ' VAL . 4.5 mt -70.14 -58.2 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.96 -51.76 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -40.07 -38.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' HD12 ' A' ' 76' ' ' ILE . 59.4 m-20 -112.37 55.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -25.31 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.97 -37.22 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.25 -45.15 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.481 HD11 HD23 ' A' ' 49' ' ' LEU . 7.9 mt -40.89 146.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' GLU . 28.6 tttt -149.45 130.6 14.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 3.4 m-85 -90.47 138.47 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.829 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 13.6 mm -120.61 132.91 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -136.99 111.63 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -100.49 -1.06 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 18.6 mttt -148.38 78.1 9.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.95 -26.72 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -56.75 -26.53 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.9 mmm -90.81 -12.14 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -86.3 -29.49 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.36 -50.54 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -51.03 -41.06 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -70.83 -49.94 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.51 HD11 HD21 ' A' ' 24' ' ' LEU . 5.2 mt -56.34 -37.14 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mttt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 70' ' ' LEU . 1.4 mm? -48.65 -53.0 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.1 mtmt -38.43 -58.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -57.61 11.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -66.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG12 ' CE2' ' A' ' 16' ' ' PHE . 71.2 t -48.17 -45.19 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.9 mm-40 -52.44 -67.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.22 -42.5 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.8 tp -41.82 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' A' ' 12' ' ' VAL . 20.6 m-85 -46.98 -58.89 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -44.96 -49.98 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -56.56 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmmt -51.57 -46.61 63.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 9.0 t -41.57 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.581 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -52.83 -45.39 61.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -34.35 53.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -54.78 -56.32 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 90' ' ' ILE . 2.1 mp -63.96 -12.77 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.474 ' O ' HD23 ' A' ' 26' ' ' LEU . . . 89.67 57.64 1.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 25' ' ' GLY . 26.6 mt -132.85 164.68 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.08 12.85 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.45 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 2.1 pm0 -111.01 171.88 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.6 140.18 42.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.581 HG12 ' CA ' ' A' ' 21' ' ' GLY . 0.5 OUTLIER -136.31 117.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -38.14 128.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 20' ' ' CYS . 20.8 t -71.31 113.75 21.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.497 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.03 77.07 3.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -53.25 -19.0 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -17.57 58.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD12 ' CG ' ' A' ' 33' ' ' PRO . 12.5 mt -86.24 -35.06 20.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 39.1 m-85 -78.58 -30.16 46.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 39' ' ' SER . 7.2 pt-20 -66.17 -47.31 74.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.52 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 3.8 m -80.88 -41.28 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.75 73.18 62.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.514 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 5.7 mt-10 -47.14 -46.77 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.456 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 28.3 m-20 -71.58 -62.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 35.4 m-85 -93.98 111.34 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.886 ' OH ' HG21 ' A' ' 79' ' ' ILE . 10.6 p90 -154.25 159.82 41.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.965 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.1 t -110.63 141.05 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.1 mt-10 -128.44 135.61 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 126.12 -24.36 5.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 10.6 mt -39.42 154.29 0.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.3 Cg_endo -75.03 160.99 39.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.788 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -57.17 145.63 30.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.2 17.3 23.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 51' ' ' GLU . 21.9 t -128.08 90.51 47.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 177.51 8.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.81 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.965 ' CE1' HG21 ' A' ' 46' ' ' VAL . 65.5 t80 -90.66 101.72 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 -175.98 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.76 152.6 95.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -41.42 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -73.71 64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.07 -42.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -53.41 148.91 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 171.76 6.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 38.7 mt -63.17 -44.18 83.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -46.54 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.558 1.82 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 6.2 mt -53.23 -55.08 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -42.83 83.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.76 -47.66 50.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.5 -59.91 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 8' ' ' LEU . 6.6 mt -44.95 -55.91 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 6.5 mtp-105 -41.33 -28.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 50' ' ' PRO . 91.5 m-20 -120.11 49.85 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.24 -2.89 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.52 -39.69 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.33 -43.02 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.528 HG23 ' CG1' ' A' ' 46' ' ' VAL . 44.2 mt -45.27 140.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' GLU . 12.9 tttp -150.71 128.7 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 4.8 m-85 -91.87 119.82 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.886 HG21 ' OH ' ' A' ' 45' ' ' TYR . 17.0 mm -94.1 123.54 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.545 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.4 mm -121.71 111.48 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.35 -30.23 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 8.2 mttt -118.87 80.37 17.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.26 5.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -62.99 -20.15 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.9 mmm -84.18 -24.54 30.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.503 ' CE1' ' CE1' ' A' ' 44' ' ' PHE . 2.8 m-85 -83.43 -22.84 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.11 -47.51 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -58.01 -39.27 77.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.669 HD11 HD13 ' A' ' 24' ' ' LEU . 81.7 mt -40.91 -39.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.537 ' H ' HD22 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -47.78 -45.49 29.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.0 mttt -38.83 -62.03 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -63.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -44.09 -65.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.558 HG12 ' CE2' ' A' ' 16' ' ' PHE . 94.9 t -50.61 -50.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.6 mm-40 -47.73 -53.9 13.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -63.77 -46.32 85.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD12 ' HG2' ' A' ' 19' ' ' LYS . 2.7 tp -40.92 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.4 m-85 -43.81 -55.38 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.515 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.3 m120 -52.67 -50.43 63.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -56.71 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.645 ' HG2' HD12 ' A' ' 15' ' ' LEU . 16.9 mmtt -45.89 -45.49 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.3 t -42.09 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.83 -45.87 18.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -43.2 62.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -53.53 -56.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 82.96 68.84 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 HG21 ' A' ' 30' ' ' VAL . 84.2 mt -126.86 161.98 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -93.77 -4.86 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.21 -175.61 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -94.54 161.7 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 26' ' ' LEU . 44.6 t -144.01 123.69 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 151.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.83 107.03 59.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.856 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 65.66 6.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -39.14 -36.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.01 58.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.869 HD23 ' CE2' ' A' ' 44' ' ' PHE . 5.0 mp -49.77 -46.86 51.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -67.15 -15.59 63.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.3 -56.58 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 67.1 m -71.33 -32.37 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.464 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 20.9 m-85 -125.73 72.71 68.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -27.68 9.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.425 1.75 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.83 46.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 52.9 m-20 -169.54 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.869 ' CE2' HD23 ' A' ' 36' ' ' LEU . 25.0 m-85 -120.22 120.4 36.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.857 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 39.5 p90 -162.67 152.05 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.8 t -103.52 146.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mm-40 -132.26 140.7 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.91 -27.1 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.517 HD11 ' HB2' ' A' ' 55' ' ' PHE . 8.0 mt -40.36 152.95 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.04 36.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 138.65 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.33 10.73 70.45 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 69' ' ' ILE . 25.1 t -130.62 94.87 28.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.3 t80 -88.89 36.48 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 2.6 mmm180 -68.75 -177.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 151.98 96.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.5 Cg_endo -74.93 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.029 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -68.82 63.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -173.84 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m-85 -55.58 153.12 8.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.64 177.67 6.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.7 mt -67.76 -44.41 42.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.35 -39.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 13.0 mt -58.2 -58.48 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -51.07 -40.16 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' ILE . 11.1 mtmt -50.52 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.615 HG13 HG11 ' A' ' 53' ' ' VAL . 6.3 mt -39.04 -56.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -48.22 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -39.02 -38.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -107.59 51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.8 ptpt -88.03 -29.44 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.16 57.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -65.07 -39.0 92.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.422 HD11 HG23 ' A' ' 69' ' ' ILE . 13.1 mt -51.26 143.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.7 ttpp -150.78 136.71 18.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.501 ' C ' HD13 ' A' ' 79' ' ' ILE . 4.6 m-85 -96.83 125.41 41.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.857 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.0 mm -105.54 134.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -134.88 111.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . 1.1 mttt -95.6 -21.78 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 29.8 mttt -128.02 73.76 79.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.07 17.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.31 -11.7 34.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.464 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 1.2 mmm -100.57 -26.29 13.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.7 m-85 -68.75 -36.37 78.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.96 -57.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.4 m -45.68 -40.0 8.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -68.85 -49.54 57.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.463 ' CG1' HG11 ' A' ' 30' ' ' VAL . 3.9 mt -59.12 -37.13 66.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mttt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -58.16 -44.92 88.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -39.09 -56.42 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -55.98 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.17 -62.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.574 HG12 ' CE2' ' A' ' 16' ' ' PHE . 96.6 t -54.96 -44.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -64.94 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -55.78 -46.03 78.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.4 tp -40.91 -69.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.6 m-30 -46.36 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -41.98 -66.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.98 -55.5 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmtt -46.03 -52.08 12.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.752 ' HB3' HG13 ' A' ' 30' ' ' VAL . 11.1 t -43.64 -59.24 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.566 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -57.98 -37.91 87.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -32.45 73.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -57.64 -46.36 84.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.509 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.2 mm? -67.21 -21.04 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 20.62 10.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.4 mt -99.04 170.77 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 0.794 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -112.55 18.99 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.17 -179.1 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.16 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.752 HG13 ' HB3' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -165.29 115.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -40.1 135.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 t -80.35 114.19 45.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -74.98 75.45 3.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -52.2 -19.96 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -21.88 56.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.1 mt -81.96 -34.22 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 72.1 m-85 -81.35 -32.04 33.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.5 pt-20 -68.39 -47.09 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -74.0 -42.69 60.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.94 71.42 68.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.6 10.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.63 -15.68 61.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.13 -48.36 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 58.6 m-85 -112.43 131.07 55.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 19.2 p90 -169.72 154.33 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.828 HG21 ' CE1' ' A' ' 55' ' ' PHE . 57.0 t -104.79 143.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.1 mt-10 -121.56 173.72 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.03 -23.5 17.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 50.7 mt -39.83 154.07 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.94 25.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.2 tt0 -63.2 147.21 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.45 18.94 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 51' ' ' GLU . 48.4 t -129.54 91.3 41.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.43 ' C ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 -173.94 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.828 ' CE1' HG21 ' A' ' 46' ' ' VAL . 41.0 t80 -99.35 96.2 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -139.37 178.55 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -50.1 144.57 10.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.0 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -58.28 -17.65 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -47.46 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -55.85 167.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -87.76 172.28 42.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.667 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.8 mm -59.17 -42.53 93.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -50.85 -31.47 17.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.48 HD21 ' O ' ' A' ' 58' ' ' PRO . 12.8 mt -62.83 -57.87 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -42.47 52.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -47.58 -55.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.456 HG13 HG11 ' A' ' 53' ' ' VAL . 4.3 mt -49.54 -57.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 8' ' ' LEU . 10.4 mt -42.9 -59.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -38.37 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 68.3 m-20 -121.57 54.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -85.42 -47.11 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.93 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 72' ' ' ASN . 9.9 mt -40.94 144.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' VAL . 7.2 tttt -150.39 152.52 34.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.652 ' C ' HD12 ' A' ' 79' ' ' ILE . 4.7 m-85 -113.22 130.18 56.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.847 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.3 mp -105.73 118.21 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.622 HG13 ' HB1' ' A' ' 23' ' ' ALA . 2.5 mm -115.65 112.15 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -90.22 -39.14 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -119.43 83.02 25.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.14 4.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.37 -27.47 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 mmm -82.93 -13.75 55.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -93.97 -20.12 20.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -47.65 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -54.31 -28.03 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -80.85 -50.04 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.509 HD11 ' HG ' ' A' ' 24' ' ' LEU . 2.8 mp -56.83 -37.15 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.42 101.93 2.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 0.764 . . . . 0.0 109.973 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -160.33 -65.44 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.044 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.41 -146.89 17.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 p -57.95 -177.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 0.801 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.47 -64.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.29 -55.27 16.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 80.6 mt -41.39 -56.52 2.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -53.29 7.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.45 -47.65 83.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -52.3 -59.92 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.757 HG12 ' CE2' ' A' ' 16' ' ' PHE . 46.7 t -54.98 -31.0 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.52 -65.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -52.83 -40.87 63.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 HG13 ' A' ' 12' ' ' VAL . 2.1 tp -45.7 -66.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.776 ' HB3' HG21 ' A' ' 32' ' ' VAL . 23.0 m-85 -53.44 -59.31 4.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.608 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.6 m120 -42.89 -53.84 4.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.19 -62.76 1.45 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.9 mmtt -41.08 -47.27 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.6 OUTLIER -48.65 -67.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 108.302 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.53 -46.78 17.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.36 -31.64 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 110.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -60.6 -43.61 97.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD21 ' CD2' ' A' ' 86' ' ' PHE . 3.0 mm? -75.98 -15.68 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 28.92 7.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.11 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 mt -96.88 169.82 9.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 0.782 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -112.13 12.95 20.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -127.72 -177.4 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 110.269 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.608 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -96.36 148.47 22.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 31' ' ' LYS . 20.9 t -139.26 121.6 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -39.74 122.42 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.776 HG21 ' HB3' ' A' ' 16' ' ' PHE . 55.7 t -64.19 112.17 7.04 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.99 55.41 3.93 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -38.0 -38.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.6 -48.95 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 33' ' ' PRO . 18.3 mt -53.67 -37.28 63.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 87.5 m-85 -81.04 -22.65 39.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -84.07 -37.32 22.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 m -85.59 -40.41 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.991 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -123.57 74.1 53.02 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.3 15.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.0 41.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -164.0 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.5 m-85 -115.82 134.26 55.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.748 ' OH ' HG21 ' A' ' 79' ' ' ILE . 20.3 p90 -173.75 150.56 1.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.802 HG21 ' CE1' ' A' ' 55' ' ' PHE . 62.9 t -99.29 137.34 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -116.53 170.1 8.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.98 -24.08 20.23 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 55' ' ' PHE . 31.4 mt -42.61 151.41 0.38 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HG2' HG11 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -75.0 167.53 26.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.506 1.792 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.911 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.6 OUTLIER -61.05 147.84 42.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 51.12 24.29 9.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 51' ' ' GLU . 40.9 t -130.57 91.76 36.85 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.0 10.5 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.802 ' CE1' HG21 ' A' ' 46' ' ' VAL . 35.2 t80 -89.59 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -80.63 -178.19 6.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.266 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 144.48 90.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.75 21.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.458 1.767 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.5 p -89.12 48.97 1.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.012 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.05 -43.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -49.8 177.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.549 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -95.95 -177.23 36.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.9 mt -67.23 -45.48 50.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.447 1.762 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -49.83 -33.69 17.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.549 HD12 ' O ' ' A' ' 62' ' ' GLY . 10.3 mt -63.32 -50.83 68.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.42 -38.13 88.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -49.51 -38.57 30.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.611 HG13 HG11 ' A' ' 53' ' ' VAL . 4.1 mt -69.89 -62.81 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.27 -49.55 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -39.91 -40.62 1.04 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -112.45 53.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -83.62 -8.57 59.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.89 -26.32 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.253 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -80.41 -35.76 34.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.439 HD11 HG23 ' A' ' 69' ' ' ILE . 26.2 mt -54.65 143.38 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.64 150.13 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.594 ' C ' HD12 ' A' ' 79' ' ' ILE . 7.2 m-85 -110.74 124.53 52.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.748 HG21 ' OH ' ' A' ' 45' ' ' TYR . 1.1 mp -102.92 119.05 50.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.8 mm -116.36 111.68 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.24 -36.14 15.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -121.67 81.47 40.56 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -24.31 12.97 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.517 1.799 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.93 -18.62 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -92.7 -8.57 43.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -86.4 -34.54 20.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.02 -43.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 49.5 m -52.47 -46.09 66.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -64.01 -53.55 48.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.402 HD12 ' C ' ' A' ' 86' ' ' PHE . 3.1 mt -56.24 -32.71 35.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -76.5 -46.95 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.87 -53.5 57.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.63 141.86 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.978 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.3 m -110.87 -52.69 2.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.971 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 53.5 -164.89 2.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 57.99 4.78 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.1 t -179.7 83.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.43 94.42 3.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.004 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.23 95.62 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 110.015 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.91 141.99 31.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.4 -105.34 0.59 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.967 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 61.23 150.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 0.762 . . . . 0.0 110.031 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.489 ' O ' HD22 ' A' ' 8' ' ' LEU . 89.7 p -166.66 177.35 6.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.17 -68.26 2.35 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 70' ' ' LEU . 0.7 OUTLIER -55.96 -50.75 69.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 0.755 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.2 mttt -38.91 -61.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -54.71 41.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CB ' HD11 ' A' ' 70' ' ' LEU . 2.0 mtpt -50.98 -70.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.545 HG12 ' CE2' ' A' ' 16' ' ' PHE . 86.3 t -43.53 -46.94 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.47 -47.94 63.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -67.93 -41.98 81.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.5 tp -45.97 -67.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.736 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.3 m-85 -48.19 -64.37 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.669 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.6 m120 -40.66 -64.03 0.58 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.32 -61.61 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 8.1 mmmt -43.86 -40.97 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.481 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.7 t -43.87 -70.83 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.326 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.12 -45.52 81.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.87 -40.48 14.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -52.7 -57.74 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -71.71 -14.47 62.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.51 69.92 1.32 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -126.77 164.01 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -93.66 -9.63 37.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -112.58 -175.06 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -100.96 170.71 8.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 9.3 t -150.63 119.51 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -40.19 121.25 1.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.736 HG21 ' HB3' ' A' ' 16' ' ' PHE . 55.8 t -65.54 112.81 9.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.249 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.466 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.97 55.07 3.82 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.519 1.799 . . . . 0.0 110.989 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 38' ' ' GLU . 70.2 m-85 -35.74 -35.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -54.95 -53.91 49.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 33' ' ' PRO . 22.9 mt -51.41 -38.69 54.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 76.9 m-85 -79.36 -24.69 42.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' PHE . 5.1 mm-40 -79.41 -28.7 41.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.4 m -97.08 -39.0 9.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.488 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 22.9 m-85 -128.76 71.33 81.2 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -75.0 -27.85 9.66 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -68.05 -22.7 64.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -100.48 -37.16 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.568 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 43.3 m-85 -120.32 119.97 34.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.878 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 50.0 p90 -161.2 154.41 21.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.816 HG21 ' CE1' ' A' ' 55' ' ' PHE . 15.1 t -103.06 146.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.343 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.8 mm-40 -129.13 142.35 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.34 -20.31 9.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.114 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.5 mt -48.91 151.28 2.26 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 157.32 42.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -56.82 141.05 45.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 110.319 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.15 10.61 59.75 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.127 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.711 HG11 HG13 ' A' ' 69' ' ' ILE . 41.7 t -127.98 95.4 34.35 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.275 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.54 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.816 ' CE1' HG21 ' A' ' 46' ' ' VAL . 46.7 t80 -96.36 39.12 1.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -76.91 -178.82 5.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -62.14 150.5 83.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.333 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.433 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.06 -47.87 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.98 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 p -72.51 58.74 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.43 -47.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.405 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -53.52 176.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -84.25 -177.31 51.33 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.542 1.151 . . . . 0.0 110.963 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -68.53 -44.92 35.37 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.513 0.772 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -52.77 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.453 1.765 . . . . 0.0 111.047 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.9 -36.07 7.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.4 mt -60.11 -57.38 13.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.18 -45.73 61.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -44.37 -50.36 9.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.711 HG13 HG11 ' A' ' 53' ' ' VAL . 4.5 mt -54.07 -60.95 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.889 HD12 HD12 ' A' ' 8' ' ' LEU . 5.2 mt -43.85 -58.22 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -39.15 -33.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -116.47 54.15 0.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.2 pttt -88.89 -13.67 38.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.62 -31.77 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.54 -29.41 63.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.4 HG23 ' CG1' ' A' ' 46' ' ' VAL . 37.9 mt -61.47 147.18 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' GLU . 17.5 tttt -150.68 148.44 28.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.56 ' C ' HD13 ' A' ' 79' ' ' ILE . 2.8 m-85 -103.4 127.27 50.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.878 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 8.2 mm -106.73 132.74 53.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.45 HG23 ' CE1' ' A' ' 44' ' ' PHE . 1.5 mt -138.51 111.64 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.258 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.5 -12.49 22.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.8 mttt -139.35 80.88 21.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -10.17 21.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 0.0 110.989 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -76.04 -19.4 58.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.488 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 92.8 mtp -93.06 -7.05 46.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -89.16 -34.11 16.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.01 -48.76 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -48.83 -49.17 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.87 -49.78 60.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mt -51.95 -32.03 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -86.48 -42.5 13.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -92.42 41.19 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.5 p -81.66 111.21 17.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 p -106.49 145.14 32.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.55 120.89 3.5 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 146.83 33.29 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.434 1.755 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.19 162.44 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 m 50.38 80.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 110.021 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.496 1.123 . . . . 0.0 110.99 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.18 80.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 109.94 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.7 m -96.65 157.93 15.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.28 -156.69 6.95 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -63.61 -53.21 55.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 0.0 110.031 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.63 -65.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.974 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -42.49 -72.12 0.32 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.065 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 70' ' ' LEU . 1.1 mm? -53.47 -49.66 66.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 48.4 mttt -38.32 -59.43 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -47.1 79.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.07 -71.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.589 HG13 HG21 ' A' ' 69' ' ' ILE . 22.8 t -43.97 -37.79 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 7.3 mm-40 -58.89 -60.33 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.69 -36.07 77.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 4.6 tp -47.86 -70.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.589 ' HB3' HG21 ' A' ' 32' ' ' VAL . 21.5 m-85 -45.83 -63.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 4.8 m120 -39.99 -63.94 0.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.66 -54.55 9.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 12.3 mmtt -50.07 -54.83 17.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 41.7 t -42.14 -66.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.289 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.79 -42.99 7.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -35.39 79.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.515 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -58.72 -46.16 87.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.656 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.3 mm? -71.69 -14.45 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.6 28.41 12.69 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.558 1.161 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 HG21 ' A' ' 30' ' ' VAL . 58.9 mt -96.51 167.84 10.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 0.791 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.84 9.39 30.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -126.43 -178.09 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.461 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -88.5 156.71 18.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 26' ' ' LEU . 30.7 t -149.71 124.17 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 30' ' ' VAL . 2.1 ttpt -40.91 160.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 16' ' ' PHE . 46.0 t -107.89 107.07 59.86 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.5 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.3 Cg_endo -75.04 66.35 6.06 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.523 1.802 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -41.29 -27.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -66.46 -53.04 39.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.5 mt -49.43 -27.85 4.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -85.2 -26.73 26.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 39' ' ' SER . 2.7 pt-20 -84.04 -46.2 12.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 44.3 m -71.32 -35.75 71.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -133.44 70.88 76.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.098 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.93 17.36 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.536 1.808 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 43' ' ' ASP . 2.4 tt0 -86.97 44.96 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' GLU . 0.2 OUTLIER -172.17 -43.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 56.7 m-85 -110.77 125.68 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.818 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 10.9 p90 -170.87 155.29 4.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.74 HG21 ' CE1' ' A' ' 55' ' ' PHE . 78.3 t -104.13 145.46 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.2 mt-10 -127.43 169.51 13.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.61 -26.92 15.69 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD23 HD11 ' A' ' 76' ' ' ILE . 31.7 mt -40.9 151.92 0.26 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.4 Cg_endo -75.07 127.88 10.98 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.477 1.778 . . . . 0.0 111.011 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.51 131.4 1.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.79 -8.93 78.86 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.561 HG11 HG13 ' A' ' 69' ' ' ILE . 49.7 t -115.13 107.35 49.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 0.792 . . . . 0.0 109.266 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -167.67 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.74 ' CE1' HG21 ' A' ' 46' ' ' VAL . 37.3 t80 -107.7 37.04 2.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 177.45 7.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -57.46 147.99 56.91 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.487 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.96 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -56.81 -18.02 11.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.16 -33.66 38.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.602 ' CE2' HD11 ' A' ' 69' ' ' ILE . 16.9 m-85 -69.52 169.23 12.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.675 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -90.41 -174.43 44.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.9 mt -64.79 -45.7 75.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -57.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 1.3 ttm-85 -46.54 -33.14 3.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.675 HD12 ' O ' ' A' ' 62' ' ' GLY . 10.4 mt -64.63 -57.45 9.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -49.13 -46.86 45.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -42.93 -51.99 5.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.119 . . . . 0.0 109.262 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.602 HD11 ' CE2' ' A' ' 61' ' ' PHE . 3.7 mt -52.07 -60.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.868 HD12 HD12 ' A' ' 8' ' ' LEU . 7.4 mt -42.95 -56.47 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -38.54 -30.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.301 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.579 ' O ' HD12 ' A' ' 76' ' ' ILE . 90.6 m-20 -119.4 57.04 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 74' ' ' ALA . 41.3 pttt -87.83 -49.82 6.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 73' ' ' LYS . . . -67.89 -37.74 82.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt -64.51 -50.29 67.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.579 HD12 ' O ' ' A' ' 72' ' ' ASN . 8.6 mt -40.91 145.22 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -149.32 143.62 25.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.638 ' C ' HD12 ' A' ' 79' ' ' ILE . 5.2 m-85 -106.03 128.34 53.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.818 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -106.12 121.31 58.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.515 HG13 ' HB1' ' A' ' 23' ' ' ALA . 2.6 mm -122.21 111.49 30.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -90.7 -35.68 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 2.7 mmtt -117.63 80.57 13.69 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -25.99 11.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.449 1.762 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.27 -12.55 57.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.1 mmm -90.01 -21.94 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.8 m-85 -82.26 -28.36 31.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' HA ' HD12 ' A' ' 90' ' ' ILE . 1.0 OUTLIER -41.44 -40.89 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.2 m -59.82 -44.39 94.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.38 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -71.2 -38.93 72.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.656 HD11 ' HG ' ' A' ' 24' ' ' LEU . 74.2 mt -59.22 -22.33 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.248 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -91.62 -60.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -41.41 -53.99 3.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -47.37 134.61 11.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.062 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.8 p -117.97 143.95 45.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.96 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.38 99.66 0.14 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -48.98 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 t -44.41 123.0 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 1.078 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.2 m 63.68 83.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.986 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 p -165.53 170.47 14.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.973 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -66.5 171.01 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 88.56 83.57 1.26 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.523 ' OG ' HD12 ' A' ' 8' ' ' LEU . 4.0 t -60.96 83.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 0.0 109.945 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' GLY . 79.5 p -64.4 169.43 4.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.53 -61.98 0.64 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD12 ' OG ' ' A' ' 5' ' ' SER . 81.6 mt -52.84 -56.1 18.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -44.94 -59.7 2.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -53.07 58.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.4 mttm -50.19 -57.35 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.518 HG12 ' CE2' ' A' ' 16' ' ' PHE . 90.7 t -58.77 -43.65 88.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -49.51 -48.72 47.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -65.65 -45.41 83.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.973 HD12 ' HD3' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -41.36 -61.95 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.862 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.4 m-85 -53.21 -37.9 62.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.704 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.1 m-80 -65.71 -51.14 61.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -57.81 -69.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.973 ' HD3' HD12 ' A' ' 15' ' ' LEU . 14.1 mptt -39.39 -48.53 1.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.59 ' HB2' HG22 ' A' ' 32' ' ' VAL . 7.9 t -48.4 -63.59 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.66 -32.79 32.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.507 1.13 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -37.31 68.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.623 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -58.57 -45.16 89.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.2 mm? -69.0 -19.18 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.06 37.43 4.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.536 1.147 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.408 HD13 HE21 ' A' ' 28' ' ' GLN . 37.7 mt -113.21 169.45 8.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.767 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -111.45 10.91 21.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.408 HE21 HD13 ' A' ' 26' ' ' LEU . 2.6 pm0 -118.81 178.87 4.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.704 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -93.33 146.02 24.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.7 t -137.86 126.45 32.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.67 121.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.862 HG21 ' HB3' ' A' ' 16' ' ' PHE . 76.5 t -68.39 113.13 13.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.511 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -75.01 72.94 4.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.488 1.783 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -51.08 -22.8 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.8 -28.06 62.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 36' ' ' LEU . 15.3 mt -76.1 -32.6 59.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.521 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 84.6 m-85 -83.76 -34.98 24.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.0 pt-20 -67.74 -47.41 69.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 1.9 m -74.52 -41.86 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -127.08 72.05 76.23 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -19.42 17.76 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.509 1.794 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -80.15 -22.0 42.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -95.3 -38.57 10.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 58.1 m-85 -123.46 135.95 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.873 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 25.1 p90 -171.32 156.57 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.558 HG23 ' CE2' ' A' ' 55' ' ' PHE . 74.8 t -107.65 145.63 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -123.65 175.5 6.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.99 -25.45 9.94 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.099 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 27.0 mt -42.68 149.95 0.45 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HG2' HG21 ' A' ' 53' ' ' VAL . 18.5 Cg_endo -74.96 159.61 41.29 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.477 1.777 . . . . 0.0 111.033 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.661 ' O ' HG23 ' A' ' 53' ' ' VAL . 3.9 pt-20 -57.3 144.36 36.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 61.85 14.85 46.55 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 51' ' ' GLU . 21.3 t -127.14 95.08 37.4 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -177.08 3.22 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 46' ' ' VAL . 7.2 t80 -97.85 34.69 1.84 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -70.91 -178.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -64.71 146.08 98.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.246 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.66 21.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.555 1.818 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.3 m -92.63 50.06 1.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.45 -43.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.446 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -47.27 158.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.07 164.68 54.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.483 1.115 . . . . 0.0 111.048 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 93.0 mt -56.85 -44.35 99.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.97 -44.79 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -50.77 -40.99 56.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.416 ' CD1' ' HB3' ' A' ' 5' ' ' SER . 8.8 mt -52.18 -50.4 61.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.1 -35.58 80.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -53.72 -40.32 65.98 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.649 HG13 HG11 ' A' ' 53' ' ' VAL . 4.9 mt -66.82 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 73' ' ' LYS . 0.7 OUTLIER -41.49 -49.98 3.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.344 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.37 -39.9 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -112.82 54.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.266 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 70' ' ' LEU . 10.9 pttt -91.32 0.3 57.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.89 -18.46 13.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm -94.42 -28.8 15.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 18.9 mt -52.99 147.82 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -149.95 146.94 27.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.623 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 4.2 m-85 -111.41 123.08 49.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.873 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.2 mp -97.97 123.82 50.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.5 mm -123.29 111.58 30.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.125 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.4 mttt -89.26 -39.3 13.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -120.64 86.93 40.99 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -33.52 4.47 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -56.92 -17.87 11.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 94.2 mtp -86.64 -20.24 28.11 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.511 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 1.6 m-85 -82.24 -33.04 29.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.485 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.5 OUTLIER -40.3 -48.7 2.68 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.3 m -45.57 -53.19 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.405 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.39 -58.17 9.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 87' ' ' GLU . 6.2 mt -47.33 -42.59 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.13 -71.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -41.77 -55.22 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.66 107.87 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 38.8 t -128.75 153.42 47.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 140.63 98.22 0.35 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 64.64 6.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 53.7 m -139.81 155.64 47.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.6 m -73.34 -60.82 2.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.529 1.143 . . . . 0.0 110.991 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 p -151.17 148.79 28.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 0.743 . . . . 0.0 109.978 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -155.12 88.95 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.2 -110.43 2.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.423 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 11.0 p 46.55 81.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 0.749 . . . . 0.0 109.982 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.9 177.51 5.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.02 -84.19 1.25 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 70' ' ' LEU . 1.4 mm? -49.07 -49.65 40.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.8 -38.47 0.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -81.39 -56.8 3.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.35 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.85 -56.38 8.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 16' ' ' PHE . 24.0 t -56.99 -36.89 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.11 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.5 -67.17 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -56.3 -36.07 68.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.3 tp -46.48 -66.1 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.743 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.6 m-85 -50.77 -61.59 2.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.9 m120 -42.45 -61.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.68 -59.99 2.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' ALA . 17.8 mmtt -47.49 -54.04 12.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -42.25 -67.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 108.29 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -46.01 -41.67 11.07 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -34.74 78.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -62.07 -38.11 87.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.772 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.3 mm? -76.58 -17.15 59.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.21 41.1 4.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -115.99 170.63 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.739 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.24 -12.14 17.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -98.94 -175.43 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.087 . . . . 0.0 110.313 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -100.76 149.65 23.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 31' ' ' LYS . 51.0 t -136.86 125.86 36.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -40.24 159.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.743 HG21 ' HB3' ' A' ' 16' ' ' PHE . 41.7 t -105.36 107.27 58.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 64.46 6.06 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.457 1.767 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -39.14 -29.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -66.18 -57.78 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.6 mt -46.92 -27.7 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' CA ' ' A' ' 41' ' ' PRO . 42.9 m-85 -84.37 -40.29 18.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 39' ' ' SER . 6.2 pt-20 -70.14 -47.37 61.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.518 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 5.8 m -70.72 -40.78 72.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -129.1 69.75 81.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.432 ' CA ' ' O ' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.01 -25.44 11.84 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.83 -1.2 30.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -118.43 -40.29 2.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -125.1 118.46 26.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.895 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 29.5 p90 -152.57 154.8 36.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.73 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 56.0 t -105.17 146.58 12.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -126.11 174.0 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 110.283 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.21 -26.15 9.27 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.973 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 24.1 mt -40.78 150.04 0.31 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 0.751 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 139.59 24.56 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -52.01 126.18 17.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 91.15 2.57 70.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.445 HG11 HG13 ' A' ' 69' ' ' ILE . 90.0 t -122.79 101.37 39.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.2 13.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.554 1.818 . . . . 0.0 110.992 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.73 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.1 t80 -85.88 56.8 4.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.963 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -179.9 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.097 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.4 146.31 91.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -24.0 13.24 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.484 1.781 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.1 p -82.23 52.46 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.5 -43.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.421 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 15.5 m-85 -52.62 175.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.552 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -90.48 -179.19 43.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 14.0 mt -67.42 -44.8 47.36 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.03 -52.73 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.509 1.794 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm180 -49.01 -34.79 13.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.6 mt -60.34 -56.65 18.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -55.64 -36.98 67.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -39.01 57.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.445 HG13 HG11 ' A' ' 53' ' ' VAL . 5.5 mt -66.42 -56.31 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.849 HD12 HD12 ' A' ' 8' ' ' LEU . 6.1 mt -43.64 -49.94 7.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 70' ' ' LEU . 8.7 mtp180 -38.4 -36.38 0.23 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.629 ' O ' HD12 ' A' ' 76' ' ' ILE . 79.4 m-20 -113.08 55.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 70' ' ' LEU . 12.5 pttt -86.7 -24.39 25.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.89 -39.79 10.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -63.89 -43.41 96.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.629 HD12 ' O ' ' A' ' 72' ' ' ASN . 10.4 mt -43.56 139.8 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -150.4 140.77 22.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.695 ' C ' HD12 ' A' ' 79' ' ' ILE . 3.9 m-85 -103.66 138.2 40.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.895 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -110.3 122.59 65.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 2.0 mm -121.65 111.53 31.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.4 mttt -88.28 -36.55 16.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -127.34 90.94 47.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.85 10.57 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.561 1.822 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.78 -26.8 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.107 . . . . 0.0 110.271 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.4 mmm -81.5 -11.09 59.32 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.446 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.3 m-85 -93.21 -34.31 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 111.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -39.39 1.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.271 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.5 m -55.35 -42.75 74.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.409 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -73.25 -44.32 59.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.772 HD11 ' HG ' ' A' ' 24' ' ' LEU . 32.1 mt -54.3 -28.29 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.43 -60.04 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.15 -52.99 5.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -46.63 -61.0 2.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -124.21 99.23 6.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.044 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -80.94 114.0 3.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 134.44 17.7 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.95 111.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -100.89 99.18 9.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.022 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 0.0 111.013 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -86.22 117.19 24.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.757 . . . . 0.0 110.058 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -74.77 120.46 20.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.73 -179.3 23.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 p -87.31 74.18 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.776 . . . . 0.0 109.991 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -148.68 -60.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.9 -57.23 2.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 12' ' ' VAL . 48.5 mt -48.69 -50.47 33.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 0.755 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 20.4 mttt -53.23 -58.7 6.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.52 -42.22 61.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.77 -51.79 60.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 8' ' ' LEU . 52.2 t -61.64 -28.99 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 10.3 mm-40 -62.15 -57.14 12.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -62.48 -32.06 72.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.5 tp -51.68 -71.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.429 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.2 m-85 -45.01 -60.14 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -42.51 -66.44 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.43 -62.44 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.5 mmtt -40.79 -51.06 3.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -42.55 -68.1 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 108.283 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -45.18 -40.55 7.58 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -34.82 79.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.713 ' HB2' ' HB2' ' A' ' 78' ' ' PHE . . . -60.46 -43.27 97.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.531 HD21 ' CD2' ' A' ' 86' ' ' PHE . 1.9 mm? -73.16 -13.12 61.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.23 37.4 6.69 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.0 mt -111.8 169.02 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 0.784 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -108.63 13.33 25.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -122.5 -179.41 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.74 156.18 17.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' LYS . 23.6 t -150.82 123.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.94 152.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -104.13 111.03 65.04 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.779 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.99 64.74 6.06 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.459 1.768 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -39.74 -34.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -57.57 -54.8 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.197 HD23 ' CE2' ' A' ' 44' ' ' PHE . 3.8 mp -46.66 -44.33 18.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -68.12 -24.71 65.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 35' ' ' ALA . 8.4 mm-40 -87.19 -57.91 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.1 m -68.78 -36.68 78.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.975 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 m-85 -126.07 71.02 68.91 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -25.96 11.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.519 1.799 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.72 44.59 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -166.76 -45.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 1.197 ' CE2' HD23 ' A' ' 36' ' ' LEU . 41.5 m-85 -115.71 115.79 26.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.878 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 49.7 p90 -158.29 150.67 22.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.613 HG22 ' CD1' ' A' ' 78' ' ' PHE . 40.7 t -105.4 130.48 56.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.9 mt-10 -111.19 171.05 7.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.24 -31.28 7.54 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.5 mt -40.53 150.81 0.27 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 0.773 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 161.5 38.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.494 1.786 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -59.41 143.91 48.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 62.63 15.28 53.44 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 69' ' ' ILE . 59.7 t -128.99 92.43 39.72 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.535 0.785 . . . . 0.0 109.284 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -179.81 5.34 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.0 t80 -92.42 38.23 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.8 mmm-85 -71.52 178.23 3.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -66.2 147.6 98.8 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.05 -39.5 1.17 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.507 1.793 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.4 m -73.11 58.5 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 110.014 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -169.26 -41.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.416 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.93 178.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -93.03 173.64 34.86 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.463 1.102 . . . . 0.0 111.057 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 28.5 mt -61.65 -44.33 91.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.93 -53.22 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.502 1.791 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -34.23 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.086 . . . . 0.0 110.324 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 62' ' ' GLY . 7.9 mt -60.33 -54.84 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.28 -36.63 75.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.77 -41.01 61.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.674 HG13 HG11 ' A' ' 53' ' ' VAL . 6.1 mt -70.59 -59.73 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -43.82 -47.29 8.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -42.42 -42.97 3.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -109.16 53.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.3 pttp -86.43 -8.41 57.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -104.65 -27.71 11.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -79.63 -35.15 39.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.48 HG23 ' CG1' ' A' ' 46' ' ' VAL . 33.2 mt -53.12 147.48 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -150.07 146.39 26.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.713 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 4.9 m-85 -107.85 119.73 40.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.878 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 4.1 mm -94.42 127.62 46.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 86' ' ' PHE . 2.4 mm -128.61 111.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -99.02 -17.74 18.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 24.8 mttt -131.19 80.97 67.38 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.89 10.5 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.799 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.49 -30.56 70.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.0 mmm -78.35 -21.48 49.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.531 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.6 m-85 -78.77 -28.69 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.92 -44.88 10.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.0 m -55.5 -41.28 72.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.371 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.08 -38.74 66.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 61.7 mt -63.76 -27.23 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.82 -62.61 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -86.63 44.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.7 p -64.92 115.16 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.031 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.7 t -96.41 -38.38 10.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.12 -147.49 30.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' SER . 18.3 Cg_endo -74.99 97.61 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.491 1.785 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.57 -82.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 96' ' ' PRO . 10.8 t -137.24 139.62 41.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -165.45 75.96 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.96 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -75.24 96.44 3.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' HA3' HD11 ' A' ' 63' ' ' ILE . . . -136.28 -80.97 0.11 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.87 171.46 13.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.983 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -157.77 -46.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.52 -57.5 11.22 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.649 ' O ' HG23 ' A' ' 12' ' ' VAL . 84.1 mt -40.7 -55.34 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 13' ' ' GLU . 7.7 mttt -44.2 -59.74 2.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -49.45 60.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -57.7 -44.22 85.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 8' ' ' LEU . 48.8 t -68.11 -33.12 59.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.8 mm-40 -60.07 -51.18 70.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -66.45 -38.77 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.0 OUTLIER -44.93 -68.43 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.581 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.8 m-85 -49.88 -61.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.602 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 5.0 m120 -40.43 -62.75 0.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.87 -54.03 13.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 7.2 mmtt -48.29 -42.08 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.793 ' HB3' HG13 ' A' ' 30' ' ' VAL . 8.4 t -61.89 -60.28 3.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 108.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.542 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -55.65 -23.02 34.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -83.53 -35.26 24.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 110.274 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.63 95.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.7 mm? -68.01 -19.73 64.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.31 43.73 2.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.5 mt -127.28 170.6 12.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 9.6 mttm -113.12 22.88 13.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 1.6 pm0 -118.98 171.99 7.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.602 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -95.19 160.78 14.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.793 HG13 ' HB3' ' A' ' 20' ' ' CYS . 0.4 OUTLIER -161.85 119.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -39.78 149.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.293 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.581 HG21 ' HB3' ' A' ' 16' ' ' PHE . 42.7 t -99.46 110.73 59.53 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 76.99 3.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.481 1.779 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -53.92 -18.63 3.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.75 -21.85 60.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.24 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 36' ' ' LEU . 8.2 mt -80.43 -37.35 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 90.7 m-85 -79.96 -35.37 37.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.8 pt-20 -63.84 -47.22 81.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.281 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.502 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 46.5 m -76.62 -39.26 52.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.994 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -127.05 70.74 75.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -75.01 -23.73 13.49 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -67.53 -43.5 80.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.73 -53.08 7.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 36.8 m-85 -103.54 138.25 40.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.95 ' OH ' HG21 ' A' ' 79' ' ' ILE . 38.7 p90 -178.5 152.43 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.833 HG21 ' CE1' ' A' ' 55' ' ' PHE . 50.8 t -105.92 133.74 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 77' ' ' LYS . 3.3 mm-40 -117.94 163.23 16.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.64 -21.55 45.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.6 mt -42.81 150.77 0.42 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 160.97 39.81 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.584 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.3 mt-10 -58.56 145.23 40.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.27 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.26 17.79 32.86 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.602 HG11 HG13 ' A' ' 69' ' ' ILE . 60.4 t -129.83 92.53 36.87 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.95 4.52 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 46' ' ' VAL . 31.6 t80 -93.8 53.58 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.5 mmt-85 -88.08 178.37 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 147.66 98.72 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -19.8 17.36 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.44 1.758 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.5 m -84.44 49.15 1.62 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.984 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -43.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -49.13 164.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.693 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -87.57 -174.93 48.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.4 mt -66.3 -45.49 60.24 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.96 -53.42 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 111.047 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.506 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -49.17 -32.23 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.693 HD12 ' O ' ' A' ' 62' ' ' GLY . 9.7 mt -63.3 -49.01 75.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -68.49 -38.51 81.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -46.31 -40.49 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.602 HG13 HG11 ' A' ' 53' ' ' VAL . 4.4 mt -69.64 -59.69 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.6 -45.78 6.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.3 mtt180 -47.11 -37.6 10.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -117.8 53.24 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 ptpp? -81.92 -32.3 30.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.77 -36.85 36.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.63 -39.11 91.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.339 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 23.2 mt -52.62 151.9 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' GLU . 8.7 tttt -150.72 146.09 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' C ' HD13 ' A' ' 79' ' ' ILE . 8.9 m-85 -110.46 118.08 35.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.95 HG21 ' OH ' ' A' ' 45' ' ' TYR . 3.6 mm -95.12 132.48 39.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.5 mt -135.69 111.52 12.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -98.52 -20.01 17.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -127.51 77.41 75.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.01 -24.85 62.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 93.0 mtp -87.77 -10.2 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -91.29 -24.62 19.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.17 -47.86 2.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.1 m -48.95 -43.11 39.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -69.69 -62.29 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.6 mt -40.7 -42.3 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -77.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -43.59 -67.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 p 40.31 88.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.4 m 64.29 122.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -175.38 -124.94 0.84 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 97.24 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.5 t -133.17 102.62 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.007 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.59 123.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.87 84.36 2.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 0.734 . . . . 0.0 110.025 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 p -176.86 157.75 1.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.981 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 88.75 -56.2 4.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.525 1.141 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 t 64.65 -76.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 0.755 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 4' ' ' GLY . 7.5 t 72.46 134.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.033 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.49 -73.63 1.64 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.469 1.105 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.513 HD22 HD13 ' A' ' 70' ' ' LEU . 96.4 mt -48.75 -48.79 40.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.4 tttt -45.44 -47.7 13.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.36 -56.98 4.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -43.56 -50.0 7.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.614 HG12 ' HB3' ' A' ' 58' ' ' PRO . 69.8 t -64.59 -41.43 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 15.7 mt-10 -57.73 -55.1 39.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.261 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -40.28 90.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.147 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tp -45.78 -67.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -46.59 -57.28 4.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -45.02 -64.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -43.58 -50.7 7.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.504 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.6 mmtt -56.0 -45.7 78.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HB3' HG13 ' A' ' 30' ' ' VAL . 11.8 t -46.71 -71.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 108.308 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.573 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -51.99 -20.13 6.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.74 -36.94 36.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB2' ' CB ' ' A' ' 78' ' ' PHE . . . -58.02 -39.63 78.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 24' ' ' LEU . 3.8 mm? -71.68 -7.68 49.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.42 30.66 21.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.647 HD13 ' NE2' ' A' ' 28' ' ' GLN . 4.9 mt -114.48 170.98 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 0.782 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -112.28 23.87 13.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.647 ' NE2' HD13 ' A' ' 26' ' ' LEU . 5.4 pm0 -114.0 169.67 8.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.83 140.58 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.573 HG12 ' CA ' ' A' ' 21' ' ' GLY . 0.6 OUTLIER -146.33 119.17 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 149.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.537 HG11 ' HZ ' ' A' ' 55' ' ' PHE . 70.6 t -98.9 114.84 65.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HG2' HD12 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.02 76.37 3.43 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.493 1.786 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -50.69 -25.95 4.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.52 75.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 36' ' ' LEU . 14.1 mt -70.23 -40.52 74.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.492 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 96.6 m-85 -75.02 -15.86 60.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -91.54 -35.86 14.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.2 m -84.98 -36.09 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -127.9 72.3 78.79 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -17.71 19.31 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -92.28 36.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.264 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -161.81 -45.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 40.2 m-85 -112.15 127.68 56.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 79' ' ' ILE . 10.1 p90 -171.9 151.79 2.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.629 HG21 ' CE1' ' A' ' 55' ' ' PHE . 84.0 t -98.67 149.7 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mt-10 -130.08 164.52 24.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.7 -26.23 22.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.568 1.167 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 15.7 mt -42.65 151.37 0.38 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 164.77 32.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.564 1.823 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.895 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -58.8 152.11 19.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 48.85 22.28 2.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 51' ' ' GLU . 46.9 t -130.8 91.7 36.32 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 176.91 9.3 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.473 1.775 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.629 ' CE1' HG21 ' A' ' 46' ' ' VAL . 32.9 t80 -90.07 36.43 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.5 mmt180 -65.55 174.66 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 -62.11 150.51 83.68 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.614 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.04 -47.23 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.485 1.782 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -69.58 60.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.024 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.73 -41.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.492 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 8.9 m-85 -51.81 161.53 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.422 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -72.84 -178.29 33.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.973 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 27.0 mt -71.64 -45.24 12.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 0.766 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -44.23 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.451 1.764 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.492 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.1 OUTLIER -51.63 -41.43 61.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.554 ' CD2' HG21 ' A' ' 12' ' ' VAL . 8.9 mt -54.74 -49.26 71.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -40.22 96.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -52.66 -39.76 62.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.52 HG13 HG11 ' A' ' 53' ' ' VAL . 5.3 mt -67.23 -60.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -46.34 -51.35 14.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 -38.46 -38.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -118.27 50.52 1.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 74' ' ' ALA . 2.3 ptpp? -75.38 -49.38 19.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.34 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' N ' ' CG ' ' A' ' 73' ' ' LYS . . . -64.37 -44.05 92.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -55.44 -46.53 76.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 19.0 mt -46.01 147.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' GLU . 13.4 tttt -150.61 135.18 17.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.551 ' O ' HD13 ' A' ' 79' ' ' ILE . 7.9 m-85 -92.6 132.34 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 45' ' ' TYR . 14.7 mm -112.51 135.58 51.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 44' ' ' PHE . 1.6 mt -140.1 112.98 5.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -97.2 -11.02 24.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 43.7 mttt -137.43 72.6 50.96 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.122 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -79.12 -19.68 50.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.1 mmm -99.3 -2.76 35.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.09 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.88 -34.03 12.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.61 -53.31 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.2 m -42.1 -50.29 4.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.62 61.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.4 mt -55.83 -18.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -83.99 -52.85 5.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -7.9 45.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 m -96.67 -52.29 3.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m 57.46 106.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.957 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -72.74 135.97 22.46 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 67.9 5.88 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.769 . . . . 0.0 110.998 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.99 -64.42 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.5 p -105.55 105.44 15.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.046 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t 68.32 143.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.777 . . . . 0.0 110.007 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 m 62.06 89.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.67 150.4 24.29 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' CB ' HG12 ' A' ' 63' ' ' ILE . 2.4 t -96.05 -70.55 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 110.036 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.96 143.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.69 -79.85 0.32 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.925 HD12 HD13 ' A' ' 70' ' ' LEU . 1.2 mm? -54.95 -41.49 71.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.14 -57.01 2.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 13' ' ' GLU . 1.6 tt0 -66.94 -64.21 0.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' CB ' HD21 ' A' ' 70' ' ' LEU . 1.1 mtpp -38.78 -48.78 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.736 HG23 HD11 ' A' ' 70' ' ' LEU . 77.3 t -65.18 -46.95 89.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 10' ' ' GLN . 3.2 mt-10 -47.98 -52.71 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 15' ' ' LEU . 9.8 m-80 -63.84 -46.79 83.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD13 ' HB2' ' A' ' 73' ' ' LYS . 1.4 tp -40.09 -65.66 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.536 ' CE2' HG12 ' A' ' 12' ' ' VAL . 23.1 m-85 -51.44 -62.04 1.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.733 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.2 m120 -44.01 -60.42 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -59.98 2.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 17.5 mmtt -41.52 -52.62 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.477 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -47.06 -70.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 108.308 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -47.43 -33.89 8.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -44.62 87.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 110.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -42.56 88.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.28 -24.35 67.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.35 39.18 4.3 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.9 mt -113.32 170.81 7.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.84 12.6 27.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -126.24 -179.34 4.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.733 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -94.87 157.61 15.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.405 HG11 HG13 ' A' ' 90' ' ' ILE . 17.1 t -143.6 120.02 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.75 123.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.483 HG21 ' HB3' ' A' ' 16' ' ' PHE . 69.0 t -69.87 115.52 34.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 54.65 3.7 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.456 1.766 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' C ' ' O ' ' A' ' 33' ' ' PRO . 45.0 m-85 -34.16 -36.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.072 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.3 -57.22 13.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 33' ' ' PRO . 61.8 mt -48.29 -38.11 18.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 61.5 m-85 -78.43 -27.83 46.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -72.79 -39.46 66.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -88.9 -35.25 16.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.027 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -128.8 73.11 81.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.055 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.2 Cg_endo -74.97 -36.13 2.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.529 1.805 . . . . 0.0 111.04 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -60.44 -35.66 76.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -82.77 -49.38 9.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.574 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 34.8 m-85 -111.37 129.42 56.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.79 ' OH ' HG21 ' A' ' 79' ' ' ILE . 17.9 p90 -170.45 154.59 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 111.034 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.422 HG21 ' CE1' ' A' ' 55' ' ' PHE . 98.2 t -105.11 127.31 59.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.3 mm-40 -107.92 163.62 12.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 -25.58 26.9 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.486 1.116 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 55' ' ' PHE . 31.3 mt -40.84 152.4 0.24 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.472 0.748 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.2 Cg_endo -74.97 152.09 40.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.34 140.15 34.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.3 10.91 58.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.688 HG11 HG13 ' A' ' 69' ' ' ILE . 40.1 t -127.96 93.41 39.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -175.96 2.62 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.538 1.809 . . . . 0.0 111.012 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 11.4 t80 -90.56 36.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -178.82 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.2 mtt-85 -65.74 149.7 97.11 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.96 -47.59 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 m -71.24 60.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.61 -48.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -50.87 162.91 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.554 1.159 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -69.15 -179.3 21.43 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 15.4 mt -69.38 -44.61 26.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.0 Cg_endo -75.06 -51.63 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.438 1.757 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -45.95 -39.77 9.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.474 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 7.1 mt -56.36 -58.63 7.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.0 -42.93 50.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -47.99 -62.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.688 HG13 HG11 ' A' ' 53' ' ' VAL . 3.9 mt -44.23 -54.54 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.925 HD13 HD12 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -51.52 -58.15 7.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -43.05 -27.58 0.21 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.51 ' O ' HD12 ' A' ' 76' ' ' ILE . 75.1 m-20 -116.63 47.79 1.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 pttp -95.98 1.08 52.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.87 -41.35 6.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HD3' ' CB ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -75.61 -37.48 59.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.51 HD12 ' O ' ' A' ' 72' ' ' ASN . 11.2 mt -43.65 144.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 47' ' ' GLU . 16.1 tttt -150.61 153.94 36.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.655 ' C ' HD13 ' A' ' 79' ' ' ILE . 5.1 m-85 -114.17 128.97 56.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.424 1.077 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.79 HG21 ' OH ' ' A' ' 45' ' ' TYR . 3.2 mm -101.83 138.38 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -139.16 111.34 5.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -100.29 -10.71 21.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -145.79 78.72 11.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.92 20.48 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.789 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -69.75 -38.55 76.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.0 mmm -75.58 -10.53 59.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.408 ' C ' HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -80.66 -36.37 32.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.65 -50.75 3.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 16.6 m -46.37 -44.04 16.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.403 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.42 -57.98 5.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 86' ' ' PHE . 3.3 mt -47.83 -41.73 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -65.41 -50.57 64.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.237 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.98 66.75 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.2 m -153.29 94.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.58 77.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.038 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -116.37 154.22 16.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.45 1.094 . . . . 0.0 111.01 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -176.77 3.04 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 0.0 111.01 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.9 -55.79 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.169 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.1 142.01 2.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 110.985 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -149.77 84.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.11 -59.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.036 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.12 178.58 48.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 p -89.63 86.08 6.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.406 ' O ' HD22 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -141.27 -167.95 2.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.0 -68.3 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' H ' HD22 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -56.5 -50.8 70.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.5 mttt -38.16 -56.86 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -47.64 84.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -58.63 -71.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG12 ' CE2' ' A' ' 16' ' ' PHE . 53.1 t -42.77 -41.39 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -52.87 -53.72 44.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.268 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -64.08 -44.08 93.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.9 tp -41.52 -65.95 0.39 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.783 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.1 m-85 -51.14 -63.34 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HA ' HG23 ' A' ' 32' ' ' VAL . 6.1 m120 -40.69 -60.34 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -50.91 -62.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.5 mmtt -40.3 -52.37 2.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.507 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -43.64 -65.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 108.298 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 26' ' ' LEU . . . -50.39 -28.05 13.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -74.18 -40.48 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 110.308 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.15 -46.31 82.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.262 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD21 ' CD2' ' A' ' 86' ' ' PHE . 2.8 mm? -71.09 -16.78 62.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.38 57.8 1.83 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.442 HD13 HE21 ' A' ' 28' ' ' GLN . 28.5 mt -127.29 168.92 14.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.61 13.71 25.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 109.287 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.442 HE21 HD13 ' A' ' 26' ' ' LEU . 3.5 pt20 -126.23 -177.91 4.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -96.12 157.48 15.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 31' ' ' LYS . 17.0 t -148.29 121.77 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -39.89 133.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.783 HG21 ' HB3' ' A' ' 16' ' ' PHE . 44.4 t -82.18 114.04 48.05 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.715 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.96 61.12 5.58 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.451 1.764 . . . . 0.0 111.013 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -39.21 -41.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.65 -51.78 45.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' A' ' 33' ' ' PRO . 7.0 mp -50.73 -45.38 58.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -72.8 -10.06 59.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 111.051 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -99.8 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -35.27 76.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -123.63 73.98 53.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -26.91 10.44 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.461 1.769 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -86.92 47.14 1.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 51.2 m-20 -169.75 -40.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.666 ' CE2' HD23 ' A' ' 36' ' ' LEU . 37.0 m-85 -120.33 117.56 28.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.606 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 29.0 p90 -158.14 155.12 28.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 77' ' ' LYS . 64.3 t -109.38 133.7 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mt-10 -117.35 138.42 51.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.35 -25.69 5.94 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.493 1.121 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.7 mt -43.82 152.71 0.44 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 109.258 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 150.59 38.19 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.511 1.795 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -54.18 139.21 36.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 110.295 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.65 6.1 65.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.774 HG11 HG13 ' A' ' 69' ' ' ILE . 35.2 t -126.14 95.06 39.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.06 3.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.3 t80 -90.33 37.5 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -71.86 -178.59 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -68.66 149.91 97.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.408 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.4 Cg_endo -75.03 -46.13 0.25 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.46 1.768 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.0 p -69.26 61.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -171.13 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 14.6 m-85 -55.33 161.12 1.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -65.65 -179.62 8.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.467 1.104 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.634 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 19.6 mt -70.79 -44.94 16.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 0.741 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.95 -48.75 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.81 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.96 -41.29 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 8.5 mt -55.74 -59.11 5.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -51.06 -43.83 61.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -47.66 -64.58 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.774 HG13 HG11 ' A' ' 53' ' ' VAL . 5.9 mt -39.92 -53.59 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 8' ' ' LEU . 2.0 mt -55.06 -56.93 14.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -38.72 -37.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -107.89 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -86.53 -13.21 46.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.267 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.55 -39.92 11.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -69.04 -35.06 76.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.52 143.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 47' ' ' GLU . 3.4 tttp -150.9 135.36 17.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 10.5 m-85 -95.96 128.35 42.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.606 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 11.8 mm -111.81 131.15 63.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.428 HG23 ' CE1' ' A' ' 44' ' ' PHE . 1.5 mt -128.01 111.59 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . 0.8 OUTLIER -92.1 -23.73 19.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 13.6 mttm -128.55 72.96 80.8 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -9.52 20.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -71.35 -13.38 61.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.6 mmm -96.97 -25.61 15.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.541 ' CD2' HD21 ' A' ' 24' ' ' LEU . 1.1 m-85 -66.76 -26.69 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.2 OUTLIER -41.75 -61.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.2 m -49.32 -32.11 10.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -76.52 -45.25 31.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 87' ' ' GLU . 28.6 mt -56.94 -31.96 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -71.1 -78.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -39.87 -69.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t 62.82 -90.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.56 142.85 50.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.025 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 178.44 91.59 0.08 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.148 . . . . 0.0 110.984 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 149.09 35.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.16 147.49 53.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.966 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.04 159.35 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -154.47 127.25 8.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 109.973 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.33 89.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.81 130.23 5.94 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.458 1.099 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p 46.82 81.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 0.72 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.46 -51.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.1 -57.43 10.07 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.55 1.156 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.524 HD22 ' CD1' ' A' ' 70' ' ' LEU . 15.9 mt -42.96 -59.85 1.85 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 0.776 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.506 ' HE3' HD11 ' A' ' 66' ' ' LEU . 8.2 mttt -42.26 -57.41 2.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -51.76 63.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 110.354 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.74 -58.14 9.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.62 HG12 ' CE2' ' A' ' 16' ' ' PHE . 98.5 t -58.68 -27.37 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -64.75 -69.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -52.27 -34.83 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -49.17 -58.82 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.62 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.3 m-85 -57.03 -48.52 78.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.991 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.628 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.6 m120 -52.81 -61.87 2.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.27 -59.37 2.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.64 -44.41 26.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.015 ' SG ' HG22 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -43.82 -71.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 108.324 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -44.66 -43.69 8.09 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -35.92 68.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.53 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -60.08 -55.53 32.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 90' ' ' ILE . 1.9 mp -70.75 -13.52 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.59 62.33 1.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.536 1.148 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.493 HD12 HG21 ' A' ' 30' ' ' VAL . 73.5 mt -123.78 164.48 19.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -101.44 9.47 41.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -131.23 -175.56 3.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.628 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -93.71 164.07 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG21 HD12 ' A' ' 26' ' ' LEU . 26.6 t -151.68 119.6 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.22 115.91 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.015 HG22 ' SG ' ' A' ' 20' ' ' CYS . 59.7 t -75.63 116.54 55.99 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 72.38 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -45.29 -23.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.38 -49.82 31.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.0 mt -49.06 -37.04 19.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 75.3 m-85 -75.73 -31.53 59.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -71.44 -36.19 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.95 -46.0 10.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.006 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -124.08 73.1 56.42 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.96 -33.39 4.66 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.48 -33.44 71.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -87.13 -51.0 6.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.518 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 62.0 m-85 -107.78 128.78 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.91 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 25.3 p90 -168.53 154.63 6.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.601 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 33.2 t -110.89 137.72 42.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.6 mm-40 -114.29 166.47 11.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.293 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.8 -29.97 9.1 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 12.4 mt -40.62 152.3 0.24 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 176.33 10.06 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.843 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.4 tt0 -69.09 148.76 49.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.34 25.21 8.01 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.963 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.843 HG23 ' O ' ' A' ' 51' ' ' GLU . 60.4 t -130.9 96.32 23.14 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.494 0.761 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 179.84 5.69 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.802 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.601 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 10.2 t80 -96.42 38.43 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -77.93 -173.25 3.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.358 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.04 151.49 70.28 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -26.04 11.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.444 1.76 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.7 p -73.33 57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.961 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -176.83 -37.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -61.53 -172.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.622 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -100.13 -177.45 30.41 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.622 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.4 mt -69.4 -45.14 27.26 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.98 -51.21 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.524 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -49.19 -31.11 7.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 62' ' ' GLY . 11.5 mt -65.52 -48.84 71.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG2' HD21 ' A' ' 8' ' ' LEU . 2.2 mm-40 -65.78 -39.87 91.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -45.5 -43.63 11.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.663 HG13 HG11 ' A' ' 53' ' ' VAL . 4.3 mt -65.98 -59.33 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.524 ' CD1' HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -40.38 -51.78 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' LEU . 10.2 mtm180 -37.75 -41.33 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.318 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -117.06 53.41 0.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -79.14 -39.61 33.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.78 -46.36 37.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -53.93 -47.1 71.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.469 HG23 ' CG1' ' A' ' 46' ' ' VAL . 13.3 mt -42.39 151.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 139.7 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -101.09 134.01 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.91 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 18.6 mm -111.6 125.26 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.53 HG13 ' HB1' ' A' ' 23' ' ' ALA . 1.8 mm -126.1 111.25 26.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -99.44 -14.63 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -139.56 77.2 28.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -5.82 17.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -83.18 -34.98 25.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 92.6 mtp -74.61 -9.77 58.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 111.044 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -83.87 -24.72 30.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.967 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -38.46 -43.49 0.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.259 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 m -52.61 -52.46 55.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.04 14.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.478 HD11 HD22 ' A' ' 24' ' ' LEU . 72.1 mt -41.54 -42.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -69.73 -56.37 7.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.53 -54.68 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 110.311 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 t -41.83 133.65 2.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.22 -58.6 1.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.022 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -153.95 -150.04 5.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.1 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 t -177.93 114.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.2 t -179.03 95.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.19 76.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 0.766 . . . . 0.0 109.978 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -116.23 97.36 6.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.028 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.83 -50.48 0.13 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 p -69.09 153.73 43.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 p -138.97 -68.42 0.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.65 -60.78 8.27 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.507 HD22 HD13 ' A' ' 70' ' ' LEU . 82.9 mt -40.95 -53.37 2.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.769 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -44.23 -61.89 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.76 -45.37 82.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -55.38 -68.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.599 HG12 ' CE2' ' A' ' 16' ' ' PHE . 58.6 t -47.09 -26.61 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -68.16 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -52.68 -33.37 47.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.1 tp -50.84 -70.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' A' ' 32' ' ' VAL . 25.5 m-85 -44.98 -53.0 8.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.752 ' HA ' HG23 ' A' ' 32' ' ' VAL . 2.8 m120 -51.73 -67.14 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.57 -55.38 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE3' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -47.43 -53.57 13.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.48 -61.71 1.29 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -48.44 -43.12 27.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -42.19 80.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.32 -56.18 21.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.9 mp -69.59 -14.92 63.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.41 71.41 1.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 30' ' ' VAL . 93.2 mt -129.03 160.42 32.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtt -96.51 5.8 50.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -131.11 -178.29 4.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.96 158.81 15.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 26' ' ' LEU . 15.5 t -139.55 120.77 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -43.51 117.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.752 HG23 ' HA ' ' A' ' 17' ' ' ASN . 64.0 t -65.57 112.63 9.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 63.38 6.05 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -41.66 -38.79 1.48 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.89 -49.21 69.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' O ' ' A' ' 85' ' ' MET . 21.9 mt -53.24 -46.28 69.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.512 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 88.4 m-85 -70.63 -18.69 62.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -80.97 -45.19 17.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 m -83.4 -37.53 23.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.946 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE2' ' CE ' ' A' ' 85' ' ' MET . 43.0 m-85 -126.4 73.23 73.25 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.98 -32.69 5.19 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.18 -36.23 83.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -82.17 -45.29 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.512 ' HB3' ' CE2' ' A' ' 37' ' ' PHE . 23.2 m-85 -116.53 124.5 50.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.763 ' OH ' HG21 ' A' ' 79' ' ' ILE . 37.2 p90 -161.0 151.91 18.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.459 HG21 ' CE1' ' A' ' 55' ' ' PHE . 22.0 t -99.58 147.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.7 mm-40 -130.41 -174.25 3.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.87 27.32 66.63 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 55' ' ' PHE . 10.2 mt -80.38 154.87 74.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.549 ' O ' HG23 ' A' ' 53' ' ' VAL . 18.4 Cg_endo -74.95 141.18 26.48 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.54 1.81 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.9 OUTLIER 35.54 -146.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.55 33.07 3.76 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.044 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 50' ' ' PRO . 79.2 t -70.35 113.28 16.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.98 122.28 7.11 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.549 1.815 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.587 ' HB2' HD11 ' A' ' 49' ' ' LEU . 8.9 t80 -49.54 91.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -126.34 -175.31 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtt85 -74.42 150.93 87.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.307 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -20.24 17.14 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.461 1.769 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.2 p -85.4 57.47 4.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -172.81 -43.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.483 1.115 . . . . 0.0 110.39 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.7 m-85 -54.66 -178.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.608 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -96.49 -177.1 35.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 16.2 mt -66.97 -45.12 53.1 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -30.79 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 62' ' ' GLY . 11.1 mt -66.52 -53.18 37.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -57.62 -38.94 75.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.233 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -48.09 -48.77 33.44 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.97 -48.28 89.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.507 HD13 HD22 ' A' ' 8' ' ' LEU . 0.7 OUTLIER -55.88 -56.65 18.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -40.13 -35.42 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -110.38 51.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.6 -6.52 59.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.72 -35.71 5.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.2 mmtt -70.03 -37.18 75.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.402 HG22 ' HE3' ' A' ' 19' ' ' LYS . 42.8 mt -54.59 148.0 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -150.69 143.28 24.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.685 ' C ' HD13 ' A' ' 79' ' ' ILE . 11.0 m-85 -107.27 127.93 53.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.763 HG21 ' OH ' ' A' ' 45' ' ' TYR . 2.6 mm -100.92 137.34 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -137.43 111.49 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -101.18 -9.38 21.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 10.5 mttt -144.48 77.09 14.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -8.49 20.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.485 1.782 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -72.08 -22.88 61.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.528 ' O ' HD11 ' A' ' 36' ' ' LEU . 1.4 mmm -95.94 -1.38 49.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.73 -31.37 17.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.756 ' HA ' HD12 ' A' ' 90' ' ' ILE . 17.5 pt-20 -45.74 -49.25 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.449 ' N ' ' CG ' ' A' ' 87' ' ' GLU . 1.7 m -42.99 -36.44 1.56 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 -47.24 20.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 87' ' ' GLU . 12.5 mt -53.58 -32.3 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -79.4 -41.87 26.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -91.2 37.6 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.3 -59.11 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.2 t -96.45 89.72 5.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 110.05 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 156.87 107.32 0.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -175.85 2.58 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.1 t 62.52 113.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t 72.25 137.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.3 p -106.95 115.91 31.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.77 . . . . 0.0 109.955 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.7 143.8 32.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.39 61.2 0.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.549 1.156 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' HB2' ' CG1' ' A' ' 63' ' ' ILE . 20.6 t 40.37 80.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.007 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.4 p -76.5 -177.95 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.025 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.59 -77.63 0.19 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.524 1.14 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 70' ' ' LEU . 67.8 mt -40.78 -64.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.53 -61.73 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -52.72 -54.01 39.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -46.34 -58.46 3.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.73 HG12 ' CE2' ' A' ' 16' ' ' PHE . 41.6 t -56.98 -49.45 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -42.9 -50.39 5.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -49.03 72.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.0 tp -40.99 -69.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.243 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.807 ' HB3' HG21 ' A' ' 32' ' ' VAL . 20.5 m-85 -43.31 -56.93 3.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.817 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 0.8 OUTLIER -51.33 -51.09 57.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -50.3 -52.64 34.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 16.9 mmtt -55.17 -44.63 75.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.491 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 12.0 t -41.65 -69.38 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 108.245 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.32 -53.45 40.76 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -40.52 5.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -53.32 -57.32 10.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.355 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.8 mp -71.27 -14.65 62.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.23 70.71 1.34 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.6 mt -126.25 166.82 16.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -98.68 12.26 35.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -138.28 177.87 7.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.817 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -92.93 167.06 12.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.448 ' O ' ' CB ' ' A' ' 20' ' ' CYS . 40.4 t -149.53 123.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -42.4 124.94 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.807 HG21 ' HB3' ' A' ' 16' ' ' PHE . 74.2 t -66.97 113.03 11.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 18.3 Cg_endo -75.01 54.95 3.8 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.452 1.764 . . . . 0.0 110.967 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 33' ' ' PRO . 56.5 m-85 -34.27 -35.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' PRO . . . -56.62 -57.43 12.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 33' ' ' PRO . 15.5 mt -47.78 -36.44 11.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -80.87 -25.68 37.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -73.48 -47.27 42.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.491 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 14.3 m -82.95 -41.8 18.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -122.84 74.8 47.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' ' 44' ' ' PHE . 18.4 Cg_endo -74.96 -52.61 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.469 1.773 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -45.64 -38.96 7.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -77.7 -47.7 18.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.267 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 41' ' ' PRO . 45.4 m-85 -116.24 119.34 35.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.739 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 50.3 p90 -156.73 151.6 25.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.835 HG21 ' CE1' ' A' ' 55' ' ' PHE . 69.3 t -102.33 138.84 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.2 mt-10 -119.91 176.06 5.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.244 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.62 -29.1 6.45 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 36.0 mt -39.91 150.6 0.25 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.39 13.22 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -42.7 130.35 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.336 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 93.05 -19.41 52.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.142 . . . . 0.0 111.042 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.7 HG11 HG13 ' A' ' 69' ' ' ILE . 87.9 t -102.29 110.0 61.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.835 ' CE1' HG21 ' A' ' 46' ' ' VAL . 37.4 t80 -98.5 37.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 mmt-85 -71.38 -178.88 2.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 mtt85 -71.69 151.41 93.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.65 4.38 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.2 t -74.28 57.73 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -171.16 -44.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.423 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -50.9 177.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.57 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -93.12 -176.98 40.71 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 18.2 mt -69.27 -45.18 28.27 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.29 -38.07 39.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 62' ' ' GLY . 9.2 mt -57.73 -49.63 75.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.77 -43.03 99.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.335 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -46.0 -40.09 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.7 HG13 HG11 ' A' ' 53' ' ' VAL . 5.0 mt -73.87 -55.14 13.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -45.43 -49.89 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -38.81 -43.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.331 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.434 ' O ' HD12 ' A' ' 76' ' ' ILE . 90.7 m-20 -108.94 52.89 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.1 -11.92 54.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.29 -30.03 10.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt -76.58 -34.5 58.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 72' ' ' ASN . 19.9 mt -51.72 145.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 145.58 26.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' HG22 ' A' ' 46' ' ' VAL . 3.3 m-85 -107.97 124.29 49.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.739 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 3.8 mm -93.61 132.25 38.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.587 HG13 ' HB1' ' A' ' 23' ' ' ALA . 3.3 mm -131.76 111.32 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -95.52 -28.82 14.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.22 82.13 66.63 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.18 16.27 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.779 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.33 -16.07 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.6 mtp -93.57 -8.95 39.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.8 OUTLIER -86.12 -28.05 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.37 -52.05 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.347 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.1 m -48.76 -40.13 27.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -67.25 -54.9 16.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.43 -39.54 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.68 -63.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.43 ' CD ' ' HA ' ' A' ' 96' ' ' PRO . 80.4 mt-10 -69.72 -70.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.4 t 57.15 109.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.0 92.78 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 79.29 121.35 0.33 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.43 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 18.4 Cg_endo -74.92 95.91 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.457 1.767 . . . . 0.0 111.01 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 t 63.38 132.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.144 . . . . 0.0 110.02 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.7 t -149.56 85.09 1.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -120.54 139.66 52.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -93.74 -65.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.02 -77.64 0.23 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.68 ' OG ' HD11 ' A' ' 63' ' ' ILE . 1.6 m -73.23 84.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.774 . . . . 0.0 110.012 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m -132.56 -176.86 4.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.01 -71.11 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.567 HD22 HD13 ' A' ' 70' ' ' LEU . 79.1 mt -40.22 -54.51 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.72 -57.03 2.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -63.74 -47.78 79.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HD3' HD23 ' A' ' 8' ' ' LEU . 11.4 mttt -52.02 -63.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.592 HG12 ' HB3' ' A' ' 58' ' ' PRO . 53.4 t -54.01 -41.87 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -52.33 -53.34 45.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -63.81 -44.03 94.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.412 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.6 tp -41.42 -65.97 0.39 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.45 ' HB3' HG21 ' A' ' 32' ' ' VAL . 22.4 m-85 -51.68 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -40.82 -54.84 2.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -59.42 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -48.01 -39.07 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -43.47 -70.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.311 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.79 -48.89 36.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.35 -39.35 3.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 0.756 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -53.35 -57.78 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.249 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.408 ' CD2' HD11 ' A' ' 90' ' ' ILE . 1.6 mp -72.48 -13.88 61.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.71 65.31 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.0 mt -120.37 162.88 18.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.274 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -95.94 6.81 47.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -130.18 -175.21 3.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.42 ' C ' HG23 ' A' ' 30' ' ' VAL . . . -96.48 168.37 10.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.42 HG23 ' C ' ' A' ' 29' ' ' ALA . 38.2 t -151.88 124.78 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -39.35 143.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.45 HG21 ' HB3' ' A' ' 16' ' ' PHE . 49.2 t -95.0 111.38 54.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.3 Cg_endo -75.03 62.3 5.86 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -38.95 -44.06 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -48.23 -54.93 11.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.794 HD23 ' CE2' ' A' ' 44' ' ' PHE . 6.8 mp -48.55 -49.12 37.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -66.2 -14.31 61.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' ALA . 1.1 mm-40 -95.96 -55.93 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 3.9 m -72.27 -30.95 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.017 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.462 ' CE2' ' CE ' ' A' ' 85' ' ' MET . 21.0 m-85 -128.97 67.79 78.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.2 17.08 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.522 1.801 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 39.68 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.337 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -165.43 -45.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.794 ' CE2' HD23 ' A' ' 36' ' ' LEU . 25.3 m-85 -111.72 108.06 17.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 6.6 p90 -145.58 162.64 36.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.533 HG21 ' CZ ' ' A' ' 55' ' ' PHE . 79.9 t -115.37 126.88 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.4 mm-40 -107.32 171.58 7.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.07 -27.68 8.06 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.535 1.147 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 18.8 mt -39.95 154.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.484 1.781 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -47.83 123.33 5.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 0.0 110.298 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.6 5.81 53.54 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.122 . . . . 0.0 111.033 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 88.2 t -126.61 95.83 37.03 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 120.97 6.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 15.1 t80 -38.33 108.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 12.2 mmt180 -140.58 179.26 6.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtt180 -65.33 152.47 91.91 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.592 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.0 -47.61 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 p -69.29 61.97 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.4 OUTLIER -173.53 -41.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.425 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 11.5 m-85 -57.76 144.16 39.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.92 168.85 9.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.031 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.68 HD11 ' OG ' ' A' ' 5' ' ' SER . 32.5 mt -57.71 -43.92 99.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.642 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -49.8 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.767 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.483 ' HG2' ' CD1' ' A' ' 61' ' ' PHE . 5.2 ttp180 -48.6 -42.09 32.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD2' HG21 ' A' ' 12' ' ' VAL . 11.0 mt -55.6 -52.86 62.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.1 -44.7 87.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -43.14 -45.87 5.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.871 HG23 HD11 ' A' ' 76' ' ' ILE . 3.4 mt -67.07 -52.2 46.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.567 HD13 HD22 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -52.21 -40.86 62.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -54.29 -20.98 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 m-20 -130.8 49.94 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.03 -45.13 67.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.76 -45.29 68.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.7 mmmt -54.43 -48.24 71.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.871 HD11 HG23 ' A' ' 69' ' ' ILE . 28.9 mt -46.35 141.59 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.407 ' N ' ' O ' ' A' ' 47' ' ' GLU . 22.2 tttt -150.74 132.16 14.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -90.94 135.53 33.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.847 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 29.1 mm -114.66 132.86 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -133.37 110.99 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -100.0 -0.51 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.277 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 32.1 mttt -148.67 71.89 10.59 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -5.49 16.84 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.435 1.755 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.06 -22.0 62.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.462 ' CE ' ' CE2' ' A' ' 40' ' ' PHE . 1.4 mmm -96.39 -10.92 26.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -84.08 -29.61 26.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.13 -50.37 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.0 m -50.35 -44.69 54.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.411 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.74 -41.84 78.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.408 HD11 ' CD2' ' A' ' 24' ' ' LEU . 62.9 mt -62.1 -29.27 46.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -50.25 29.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -73.66 -72.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 48.94 95.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t 57.84 164.73 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.09 178.41 28.51 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 63.76 6.02 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.483 1.78 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 t 67.25 93.49 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.4 t -64.12 -59.39 4.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.065 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 111.052 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -39.48 -56.17 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 110.004 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 t 63.7 132.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.049 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.44 -154.46 20.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -89.65 81.05 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 -178.77 5.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.954 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . 82.72 -87.99 1.47 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.43 1.081 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.6 ' H ' HD22 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -39.82 -49.66 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.341 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 8' ' ' LEU . 4.4 mttt -39.43 -59.43 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.56 -50.24 70.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.112 . . . . 0.0 110.312 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.05 -71.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG12 ' CE2' ' A' ' 16' ' ' PHE . 59.3 t -42.48 -40.52 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.91 -54.56 41.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.9 m-80 -63.92 -43.36 96.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 1.8 tp -41.59 -66.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.571 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.0 m-30 -49.69 -66.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 111.028 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.544 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.4 m120 -41.35 -41.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -64.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 6.8 mmtt -44.85 -43.03 8.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HB2' HG22 ' A' ' 32' ' ' VAL . 54.0 t -42.59 -69.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -38.39 30.24 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.91 -49.21 69.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.8 61.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 24' ' ' LEU . 2.1 mm? -62.91 -19.72 64.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.45 34.57 7.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.408 HD12 HG21 ' A' ' 30' ' ' VAL . 72.3 mt -101.8 166.4 10.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 8.49 35.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -127.07 -176.1 3.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -91.58 162.36 14.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.408 HG21 HD12 ' A' ' 26' ' ' LEU . 57.7 t -148.43 126.06 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.37 121.94 2.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG22 ' HB2' ' A' ' 20' ' ' CYS . 63.4 t -75.07 114.54 36.07 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.749 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.04 63.78 6.04 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 110.976 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -39.96 -47.26 2.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLU . . . -43.88 -54.39 5.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.94 HD23 ' CE2' ' A' ' 44' ' ' PHE . 5.8 mp -48.34 -51.51 25.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -63.18 -13.04 32.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -98.75 -59.6 1.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 38.2 m -68.0 -34.77 77.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' LEU . 39.8 m-85 -125.58 71.5 66.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -24.34 13.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 45.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -167.42 -48.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.94 ' CE2' HD23 ' A' ' 36' ' ' LEU . 39.6 m-85 -109.24 133.49 52.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.617 ' CE1' HG21 ' A' ' 79' ' ' ILE . 7.9 p90 -177.89 149.12 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.092 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.537 ' CG1' HG23 ' A' ' 76' ' ' ILE . 68.1 t -99.25 143.75 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 77' ' ' LYS . 1.1 mm-40 -122.79 141.87 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.81 -23.95 9.19 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 14.1 mt -42.83 153.54 0.32 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 151.22 39.44 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.51 1.795 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -54.68 139.12 39.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.304 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.71 9.43 65.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.74 HG11 HG13 ' A' ' 69' ' ' ILE . 47.0 t -128.68 96.36 30.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -171.46 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 14.0 t80 -99.28 34.98 2.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.01 178.88 3.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.331 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 144.71 87.21 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.402 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.06 -16.04 20.28 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 t -93.28 51.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.962 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.93 -46.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.376 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -49.94 174.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -84.2 -178.27 51.52 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 10.5 mt -69.13 -44.47 27.89 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.543 0.79 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -51.42 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.46 1.768 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD3' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -46.94 -39.46 12.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.467 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 17.7 mt -56.6 -57.68 11.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -50.77 -43.02 58.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -50.43 -61.56 2.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.74 HG13 HG11 ' A' ' 53' ' ' VAL . 4.4 mt -40.91 -47.25 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 8' ' ' LEU . 1.0 OUTLIER -63.61 -54.56 33.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -40.81 -30.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' N ' ' C ' ' A' ' 70' ' ' LEU . 72.5 m-20 -118.7 56.39 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 74' ' ' ALA . 1.0 OUTLIER -84.5 -48.49 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 73' ' ' LYS . . . -61.96 -43.23 99.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.59 -46.06 91.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.537 HG23 ' CG1' ' A' ' 46' ' ' VAL . 14.1 mt -48.91 146.7 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.5 tttp -150.97 136.23 17.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 5.5 m-85 -92.27 129.76 38.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.953 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.617 HG21 ' CE1' ' A' ' 45' ' ' TYR . 17.2 mm -111.87 133.97 55.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.4 HD13 ' CZ ' ' A' ' 86' ' ' PHE . 1.7 mt -136.71 116.34 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.51 -5.34 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 30.3 mttt -142.67 72.47 20.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.39 21.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.34 -24.71 66.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 110.327 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.448 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 87.5 mtp -87.15 -30.31 21.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.485 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 2.0 m-85 -64.98 -35.58 81.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HA ' HD12 ' A' ' 90' ' ' ILE . 2.3 mt-10 -41.0 -54.44 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.2 m -45.64 -48.31 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' O ' ' CB ' ' A' ' 93' ' ' SER . . . -58.31 -58.63 7.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 87' ' ' GLU . 3.9 mt -48.15 -44.28 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -54.19 -65.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -86.93 44.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.26 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 89' ' ' ALA . 3.8 m -134.15 142.1 47.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.11 146.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 110.043 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -125.76 97.9 0.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 69.65 5.51 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.502 1.791 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 95.6 p -80.48 131.79 35.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.7 t -140.36 105.04 4.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.46 127.76 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.983 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -122.66 -67.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.473 ' CA ' HG13 ' A' ' 63' ' ' ILE . . . -158.2 113.79 0.58 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.127 . . . . 0.0 111.041 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 58.21 161.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 110.058 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -117.87 -39.93 3.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.036 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.94 -58.27 8.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.7 mt -40.77 -48.72 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -49.02 -63.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -37.83 68.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -62.23 -61.88 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.433 HG12 ' CE2' ' A' ' 16' ' ' PHE . 90.3 t -56.31 -32.12 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.71 -48.54 79.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.289 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -67.93 -38.31 82.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.406 HD23 HG13 ' A' ' 12' ' ' VAL . 2.4 tp -46.46 -68.54 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.482 ' HB3' HG21 ' A' ' 32' ' ' VAL . 21.4 m-30 -49.1 -60.78 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 5.9 m120 -42.9 -59.18 2.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.32 -65.55 0.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.251 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.9 -48.11 5.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -43.04 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 108.278 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -49.84 -36.35 26.23 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.86 -45.37 94.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.73 -51.24 61.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 24' ' ' LEU . 3.0 mm? -63.22 -22.22 66.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.88 35.72 5.5 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -104.85 169.68 8.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 0.784 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.65 10.54 26.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -124.82 -177.82 3.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.534 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -92.39 153.3 19.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' LYS . 38.6 t -141.22 124.57 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.3 OUTLIER -39.75 157.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 16' ' ' PHE . 38.9 t -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.764 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.95 63.98 5.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.416 1.745 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -41.45 -44.01 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.69 -52.33 14.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.881 HD23 ' CE2' ' A' ' 44' ' ' PHE . 6.3 mp -50.67 -51.21 51.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -65.86 -9.78 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -99.39 -59.24 1.76 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.481 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 2.0 m -72.93 -26.27 61.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.492 ' CE2' ' HE3' ' A' ' 85' ' ' MET . 24.3 m-85 -131.32 68.94 81.93 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -26.56 10.93 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.486 1.782 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -85.97 45.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -167.84 -42.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.881 ' CE2' HD23 ' A' ' 36' ' ' LEU . 38.7 m-85 -115.54 133.4 56.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.767 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 7.7 p90 -176.18 156.11 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.8 t -107.3 139.38 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 0.5 OUTLIER -116.38 169.98 8.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.01 -16.11 49.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 55' ' ' PHE . 28.1 mt -40.3 155.61 0.18 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 53' ' ' VAL . 18.3 Cg_endo -74.98 143.28 28.94 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' PRO . 2.3 tt0 34.49 -146.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.89 32.58 3.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 50' ' ' PRO . 60.5 t -70.24 113.09 15.28 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.0 122.34 7.14 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.492 1.785 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.56 ' HB2' HD11 ' A' ' 49' ' ' LEU . 62.6 t80 -50.56 90.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 54' ' ' PRO . 1.7 mmm-85 -122.93 -174.25 2.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.249 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -70.88 143.9 89.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -13.81 21.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.811 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.3 t -89.8 50.25 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.013 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -167.04 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.396 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.553 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 7.7 m-85 -51.01 -179.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.6 172.16 27.13 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 37.2 mt -58.5 -44.01 98.65 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.489 1.783 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.553 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -47.76 -35.7 10.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.25 -54.22 43.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.43 -42.41 82.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.57 -51.64 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 76' ' ' ILE . 3.6 mt -57.47 -59.76 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -44.1 -57.24 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.64 -41.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -112.01 54.82 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -77.48 -49.27 15.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.72 -45.31 79.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -55.26 -48.93 73.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' HG23 ' A' ' 69' ' ' ILE . 11.7 mt -43.04 150.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.6 tttt -150.19 137.75 19.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.685 ' C ' HD12 ' A' ' 79' ' ' ILE . 5.7 m-85 -101.47 130.82 47.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.767 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.4 mp -109.77 136.49 45.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.5 HD13 ' CZ ' ' A' ' 86' ' ' PHE . 1.6 mt -138.63 112.8 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.8 mttt -93.56 -27.2 16.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 23.4 mttp -123.81 75.79 56.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.09 16.29 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.479 1.778 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -23.54 53.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.492 ' HE3' ' CE2' ' A' ' 40' ' ' PHE . 80.5 mtp -88.27 -29.01 20.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CZ ' HD13 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -65.43 -36.03 82.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.973 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.432 ' HA ' HD12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -46.64 -49.82 18.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.303 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -48.25 -38.16 17.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.404 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.76 9.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 87' ' ' GLU . 3.5 mt -49.34 -41.61 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -62.99 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.26 41.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 50.7 p -55.11 -60.64 3.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.8 m 47.41 83.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.12 98.65 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 60.24 5.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.5 p -53.67 151.72 5.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.7 p -73.72 158.84 33.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.45 -58.45 3.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 m -70.49 -65.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.984 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.17 113.2 4.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 7' ' ' GLY . 54.3 p 58.5 -173.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.963 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.95 -77.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -39.62 -54.14 2.86 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 43.0 mt -49.12 -52.75 24.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 0.759 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -51.75 -65.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -47.21 -36.9 9.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -70.56 -68.32 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.69 HG12 ' CE2' ' A' ' 16' ' ' PHE . 57.9 t -48.29 -24.48 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -65.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -57.31 -32.15 66.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -50.81 -65.13 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.69 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.6 m-85 -53.21 -56.44 16.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.062 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.439 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 1.7 m-80 -48.06 -37.41 15.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -62.15 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 3.6 mmtt -53.16 -28.19 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.817 ' SG ' HG22 ' A' ' 32' ' ' VAL . 11.0 t -52.96 -71.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.534 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -50.6 -42.54 44.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.429 1.08 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -34.74 65.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 0.743 . . . . 0.0 110.25 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -55.09 -56.23 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.51 HD21 HD11 ' A' ' 90' ' ' ILE . 2.2 mp -64.03 -12.94 43.03 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 48.72 2.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.8 mt -124.54 165.45 17.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -106.36 17.74 22.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 1.0 OUTLIER -120.51 176.11 5.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -99.43 160.09 14.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 21' ' ' GLY . 1.3 p -163.42 124.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 30' ' ' VAL . 4.0 ttmt -38.43 155.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.817 HG22 ' SG ' ' A' ' 20' ' ' CYS . 67.5 t -117.88 123.34 29.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.797 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.0 66.86 6.01 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -41.02 -27.72 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' N ' ' C ' ' A' ' 33' ' ' PRO . . . -63.22 -52.78 60.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.036 HD23 ' CE2' ' A' ' 44' ' ' PHE . 4.5 mp -49.81 -43.25 48.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -66.59 -15.84 63.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -97.48 -53.41 3.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -71.77 -31.79 66.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' LEU . 22.6 m-85 -128.14 69.98 78.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.039 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -22.08 15.04 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -89.18 40.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -165.99 -44.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 1.036 ' CE2' HD23 ' A' ' 36' ' ' LEU . 30.6 m-85 -114.52 116.16 28.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.829 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 44.1 p90 -159.2 150.48 20.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.796 HG21 ' CE1' ' A' ' 55' ' ' PHE . 54.7 t -108.8 131.11 60.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.4 mm-40 -104.22 167.14 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.76 -33.86 5.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.481 HD23 HD11 ' A' ' 76' ' ' ILE . 23.1 mt -40.67 152.34 0.24 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.534 0.785 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 129.29 12.2 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.3 132.07 1.49 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.35 -16.29 56.38 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.552 1.157 . . . . 0.0 111.034 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.837 HG11 HG13 ' A' ' 69' ' ' ILE . 48.6 t -107.14 103.86 49.79 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.533 0.784 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -174.0 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.442 1.759 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.796 ' CE1' HG21 ' A' ' 46' ' ' VAL . 57.9 t80 -102.53 43.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.44 -171.7 3.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 110.345 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.34 147.32 68.31 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -9.33 20.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.4 m -85.06 57.99 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -179.48 -38.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.392 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' CD1' ' HD2' ' A' ' 65' ' ' ARG . 10.2 m-85 -59.23 -176.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -100.69 168.73 20.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 57.9 mt -57.72 -43.97 99.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 109.246 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -52.85 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.509 1.794 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.512 ' HD2' ' CD1' ' A' ' 61' ' ' PHE . 2.4 ttm-85 -49.49 -33.89 15.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.2 mt -61.06 -55.77 28.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.06 -40.77 77.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -44.3 -40.12 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.837 HG13 HG11 ' A' ' 53' ' ' VAL . 4.5 mt -70.14 -58.2 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.96 -51.76 5.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -40.07 -38.73 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.313 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' HD12 ' A' ' 76' ' ' ILE . 59.4 m-20 -112.37 55.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.31 -25.31 25.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.97 -37.22 15.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.25 -45.15 70.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.481 HD11 HD23 ' A' ' 49' ' ' LEU . 7.9 mt -40.89 146.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 109.253 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 47' ' ' GLU . 28.6 tttt -149.45 130.6 14.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 19' ' ' LYS . 3.4 m-85 -90.47 138.47 31.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.829 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 13.6 mm -120.61 132.91 68.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -136.99 111.63 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -100.49 -1.06 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 18.6 mttt -148.38 78.1 9.48 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.427 ' HA ' ' HB2' ' A' ' 86' ' ' PHE . 18.4 Cg_endo -74.95 -26.72 10.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -56.75 -26.53 57.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 110.287 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.9 mmm -90.81 -12.14 37.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 111.003 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.449 ' O ' ' N ' ' A' ' 89' ' ' ALA . 0.2 OUTLIER -86.3 -29.49 23.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.36 -50.54 2.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 18.8 m -51.03 -41.06 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -70.83 -49.94 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.51 HD11 HD21 ' A' ' 24' ' ' LEU . 5.2 mt -56.34 -37.14 49.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -62.0 -54.84 36.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -46.04 -53.52 10.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.32 145.01 49.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.49 -53.67 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -178.59 157.03 20.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -45.46 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 45.2 p -154.4 170.08 22.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.017 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.7 p -80.97 126.74 31.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.031 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -173.12 -57.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.783 . . . . 0.0 110.056 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.85 126.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.82 -150.13 16.86 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.28 -71.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.95 160.86 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.005 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.86 -71.54 2.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.49 1.119 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 70' ' ' LEU . 1.4 mm? -48.65 -53.0 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.741 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 1.1 mtmt -38.43 -58.45 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.168 . . . . 0.0 109.35 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -57.61 11.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.31 -66.91 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG12 ' CE2' ' A' ' 16' ' ' PHE . 71.2 t -48.17 -45.19 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.9 mm-40 -52.44 -67.44 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.22 -42.5 77.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 2.8 tp -41.82 -67.14 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.537 ' CE2' HG12 ' A' ' 12' ' ' VAL . 20.6 m-85 -46.98 -58.89 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -44.96 -49.98 10.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -56.56 20.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.567 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmmt -51.57 -46.61 63.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.532 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 9.0 t -41.57 -71.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.298 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.581 ' CA ' HG12 ' A' ' 30' ' ' VAL . . . -52.83 -45.39 61.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.82 -34.35 53.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -54.78 -56.32 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.669 HD13 HD11 ' A' ' 90' ' ' ILE . 2.1 mp -63.96 -12.77 40.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' O ' HD23 ' A' ' 26' ' ' LEU . . . 89.67 57.64 1.71 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 25' ' ' GLY . 26.6 mt -132.85 164.68 26.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.08 12.85 36.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' N ' ' OE1' ' A' ' 28' ' ' GLN . 2.1 pm0 -111.01 171.88 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.6 140.18 42.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.581 HG12 ' CA ' ' A' ' 21' ' ' GLY . 0.5 OUTLIER -136.31 117.16 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -38.14 128.17 1.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 20' ' ' CYS . 20.8 t -71.31 113.75 21.99 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.497 ' CG ' HD12 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.03 77.07 3.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.427 1.751 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -53.25 -19.0 2.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.24 -17.57 58.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD12 ' CG ' ' A' ' 33' ' ' PRO . 12.5 mt -86.24 -35.06 20.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 44' ' ' PHE . 39.1 m-85 -78.58 -30.16 46.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 39' ' ' SER . 7.2 pt-20 -66.17 -47.31 74.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.52 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 3.8 m -80.88 -41.28 23.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.035 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -124.75 73.18 62.83 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -47.36 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.514 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 5.7 mt-10 -47.14 -46.77 23.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' O ' ' CE1' ' A' ' 45' ' ' TYR . 28.3 m-20 -71.58 -62.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 82' ' ' LYS . 35.4 m-85 -93.98 111.34 23.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.886 ' OH ' HG21 ' A' ' 79' ' ' ILE . 10.6 p90 -154.25 159.82 41.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.965 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.1 t -110.63 141.05 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.1 mt-10 -128.44 135.61 49.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 126.12 -24.36 5.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.55 1.156 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 10.6 mt -39.42 154.29 0.17 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HB3' ' ND2' ' A' ' 72' ' ' ASN . 18.3 Cg_endo -75.03 160.99 39.4 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.788 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -57.17 145.63 30.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.2 17.3 23.51 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.528 1.142 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 51' ' ' GLU . 21.9 t -128.08 90.51 47.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.509 0.77 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 177.51 8.48 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.81 . . . . 0.0 111.047 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.965 ' CE1' HG21 ' A' ' 46' ' ' VAL . 65.5 t80 -90.66 101.72 14.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.99 -175.98 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.356 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.76 152.6 95.23 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.424 ' HB3' HG12 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 -41.42 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -73.71 64.03 0.9 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.974 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -175.07 -42.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -53.41 148.91 8.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.26 171.76 6.28 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.546 1.154 . . . . 0.0 111.06 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 38.7 mt -63.17 -44.18 83.07 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.498 0.764 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.0 -46.54 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.558 1.82 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -49.96 -42.47 48.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 6.2 mt -53.23 -55.08 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.52 -42.83 83.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.76 -47.66 50.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.5 -59.91 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.924 HD12 HD12 ' A' ' 8' ' ' LEU . 6.6 mt -44.95 -55.91 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 6.5 mtp-105 -41.33 -28.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 50' ' ' PRO . 91.5 m-20 -120.11 49.85 1.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -89.24 -2.89 58.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.52 -39.69 5.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt -67.33 -43.02 82.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.528 HG23 ' CG1' ' A' ' 46' ' ' VAL . 44.2 mt -45.27 140.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 47' ' ' GLU . 12.9 tttp -150.71 128.7 11.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 19' ' ' LYS . 4.8 m-85 -91.87 119.82 31.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.886 HG21 ' OH ' ' A' ' 45' ' ' TYR . 17.0 mm -94.1 123.54 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.545 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.4 mm -121.71 111.48 31.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.35 -30.23 13.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 8.2 mttt -118.87 80.37 17.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.26 5.53 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -62.99 -20.15 65.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.9 mmm -84.18 -24.54 30.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.503 ' CE1' ' CE1' ' A' ' 44' ' ' PHE . 2.8 m-85 -83.43 -22.84 32.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -45.11 -47.51 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 110.323 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 3.2 m -58.01 -39.27 77.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.33 -61.45 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.669 HD11 HD13 ' A' ' 24' ' ' LEU . 81.7 mt -40.91 -39.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -66.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.255 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.68 -53.58 30.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -47.1 -53.67 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.99 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.0 m -111.48 87.61 2.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.56 154.9 16.7 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.521 1.138 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 62.83 5.95 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.9 t 61.43 125.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.36 -72.26 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 110.973 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m -78.02 132.48 37.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 0.74 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 p -156.19 179.55 9.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.98 -112.4 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -111.11 140.05 45.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 0.746 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.39 -172.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.53 -79.23 0.57 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' H ' HD22 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -47.78 -45.49 29.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 8' ' ' LEU . 2.0 mttt -38.83 -62.03 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -63.26 1.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -44.09 -65.21 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.132 . . . . 0.0 109.345 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.558 HG12 ' CE2' ' A' ' 16' ' ' PHE . 94.9 t -50.61 -50.59 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.6 mm-40 -47.73 -53.9 13.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.286 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -63.77 -46.32 85.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD12 ' HG2' ' A' ' 19' ' ' LYS . 2.7 tp -40.92 -67.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' CE2' HG12 ' A' ' 12' ' ' VAL . 21.4 m-85 -43.81 -55.38 4.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.028 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.515 ' HB3' ' HB1' ' A' ' 29' ' ' ALA . 7.3 m120 -52.67 -50.43 63.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.54 -56.71 17.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.645 ' HG2' HD12 ' A' ' 15' ' ' LEU . 16.9 mmtt -45.89 -45.49 15.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 14.3 t -42.09 -70.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -46.83 -45.87 18.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.14 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.51 -43.2 62.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 20' ' ' CYS . . . -53.53 -56.5 16.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' GLY . . . 82.96 68.84 1.41 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.551 1.157 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD12 HG21 ' A' ' 30' ' ' VAL . 84.2 mt -126.86 161.98 26.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 0.754 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -93.77 -4.86 49.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.21 -175.61 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 17' ' ' ASN . . . -94.54 161.7 14.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.155 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG21 HD12 ' A' ' 26' ' ' LEU . 44.6 t -144.01 123.69 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.4 151.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -107.83 107.03 59.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.856 ' HB2' HD13 ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.99 65.66 6.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.531 1.806 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -39.14 -36.92 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.72 -53.01 58.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.869 HD23 ' CE2' ' A' ' 44' ' ' PHE . 5.0 mp -49.77 -46.86 51.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -67.15 -15.59 63.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -95.3 -56.58 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.318 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.494 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 67.1 m -71.33 -32.37 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.464 ' CE2' ' HE1' ' A' ' 85' ' ' MET . 20.9 m-85 -125.73 72.71 68.88 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -27.68 9.93 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.425 1.75 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -85.83 46.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 52.9 m-20 -169.54 -41.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.869 ' CE2' HD23 ' A' ' 36' ' ' LEU . 25.0 m-85 -120.22 120.4 36.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.857 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 39.5 p90 -162.67 152.05 15.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.8 t -103.52 146.39 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 77' ' ' LYS . 2.0 mm-40 -132.26 140.7 48.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.91 -27.1 6.91 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.517 HD11 ' HB2' ' A' ' 55' ' ' PHE . 8.0 mt -40.36 152.95 0.22 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 149.04 36.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 138.65 25.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.33 10.73 70.45 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.615 HG11 HG13 ' A' ' 69' ' ' ILE . 25.1 t -130.62 94.87 28.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -179.02 4.59 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.492 1.785 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 55' ' ' PHE . 7.3 t80 -88.89 36.48 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 2.6 mmm180 -68.75 -177.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.35 151.98 96.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' O ' ' N ' ' A' ' 60' ' ' THR . 18.5 Cg_endo -74.93 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.811 . . . . 0.0 111.029 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.3 t -68.82 63.38 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -173.84 -42.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.364 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 12.0 m-85 -55.58 153.12 8.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.64 177.67 6.01 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.12 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.641 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.7 mt -67.76 -44.41 42.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.641 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.35 -39.42 10.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 13.0 mt -58.2 -58.48 8.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.268 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -51.07 -40.16 57.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 69' ' ' ILE . 11.1 mtmt -50.52 -65.86 0.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.615 HG13 HG11 ' A' ' 53' ' ' VAL . 6.3 mt -39.04 -56.73 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -48.22 -61.85 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.7 mtt-85 -39.02 -38.81 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -107.59 51.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.8 ptpt -88.03 -29.44 20.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.3 -43.16 57.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -65.07 -39.0 92.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.422 HD11 HG23 ' A' ' 69' ' ' ILE . 13.1 mt -51.26 143.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' GLU . 5.7 ttpp -150.78 136.71 18.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.501 ' C ' HD13 ' A' ' 79' ' ' ILE . 4.6 m-85 -96.83 125.41 41.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.857 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 7.0 mm -105.54 134.84 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 1.6 mt -134.88 111.41 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . 1.1 mttt -95.6 -21.78 18.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 44' ' ' PHE . 29.8 mttt -128.02 73.76 79.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.07 17.21 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -64.31 -11.7 34.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.464 ' HE1' ' CE2' ' A' ' 40' ' ' PHE . 1.2 mmm -100.57 -26.29 13.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.425 ' O ' ' N ' ' A' ' 89' ' ' ALA . 1.7 m-85 -68.75 -36.37 78.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.96 -57.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.262 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.4 m -45.68 -40.0 8.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.439 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -68.85 -49.54 57.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.463 ' CG1' HG11 ' A' ' 30' ' ' VAL . 3.9 mt -59.12 -37.13 66.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -56.84 -60.19 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.314 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.67 43.62 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.9 t -100.95 121.08 41.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.053 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.03 167.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 168.34 168.54 30.58 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.497 1.788 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -155.37 113.47 3.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 110.033 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -158.88 89.39 0.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.9 p -70.84 157.0 38.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.57 166.05 10.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.23 -70.24 0.24 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.542 ' CB ' HD12 ' A' ' 63' ' ' ILE . 1.4 t 42.04 82.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.787 . . . . 0.0 109.999 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.27 58.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.424 1.078 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.17 -76.27 0.06 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -58.16 -44.92 88.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -39.09 -56.42 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -55.98 14.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -46.17 -62.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.574 HG12 ' CE2' ' A' ' 16' ' ' PHE . 96.6 t -54.96 -44.06 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -64.94 0.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -55.78 -46.03 78.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 16' ' ' PHE . 3.4 tp -40.91 -69.19 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 12' ' ' VAL . 22.6 m-30 -46.36 -61.72 1.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -41.98 -66.09 0.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.98 -55.5 4.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.345 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 10.4 mmtt -46.03 -52.08 12.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.752 ' HB3' HG13 ' A' ' 30' ' ' VAL . 11.1 t -43.64 -59.24 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 108.258 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.566 ' N ' ' CG1' ' A' ' 30' ' ' VAL . . . -57.98 -37.91 87.07 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -32.45 73.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB1' HG13 ' A' ' 80' ' ' ILE . . . -57.64 -46.36 84.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.509 ' HG ' HD11 ' A' ' 90' ' ' ILE . 3.2 mm? -67.21 -21.04 65.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.13 20.62 10.97 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.4 mt -99.04 170.77 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 0.794 . . . . 0.0 109.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -112.55 18.99 17.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -114.17 -179.1 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.16 162.69 12.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.752 HG13 ' HB3' ' A' ' 20' ' ' CYS . 0.6 OUTLIER -165.29 115.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -40.1 135.84 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.245 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 t -80.35 114.19 45.26 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 86' ' ' PHE . 18.1 Cg_endo -74.98 75.45 3.69 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -52.2 -19.96 2.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.84 -21.88 56.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 36' ' ' LEU . 12.1 mt -81.96 -34.22 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 44' ' ' PHE . 72.1 m-85 -81.35 -32.04 33.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.5 ' CG ' ' N ' ' A' ' 39' ' ' SER . 5.5 pt-20 -68.39 -47.09 68.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.5 ' N ' ' CG ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -74.0 -42.69 60.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -125.94 71.42 68.56 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -26.6 10.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.63 -15.68 61.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.13 -48.36 4.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.464 ' CD1' ' CE1' ' A' ' 86' ' ' PHE . 58.6 m-85 -112.43 131.07 55.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.847 ' CZ ' HG21 ' A' ' 79' ' ' ILE . 19.2 p90 -169.72 154.33 5.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.828 HG21 ' CE1' ' A' ' 55' ' ' PHE . 57.0 t -104.79 143.5 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 1.1 mt-10 -121.56 173.72 7.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.305 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.03 -23.5 17.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 55' ' ' PHE . 50.7 mt -39.83 154.07 0.19 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.475 0.75 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 167.94 25.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.2 tt0 -63.2 147.21 51.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 53.45 18.94 7.95 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.449 1.093 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 51' ' ' GLU . 48.4 t -129.54 91.3 41.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.43 ' C ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.01 -173.94 1.76 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.956 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.828 ' CE1' HG21 ' A' ' 46' ' ' VAL . 41.0 t80 -99.35 96.2 7.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -139.37 178.55 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.324 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -50.1 144.57 10.82 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.0 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.446 1.761 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -58.28 -17.65 21.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -47.46 19.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.363 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -55.85 167.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' ' 66' ' ' LEU . . . -87.76 172.28 42.25 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.667 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.8 mm -59.17 -42.53 93.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 109.242 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -54.19 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -50.85 -31.47 17.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.48 HD21 ' O ' ' A' ' 58' ' ' PRO . 12.8 mt -62.83 -57.87 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.34 -42.47 52.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 8.8 mtmt -47.58 -55.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.456 HG13 HG11 ' A' ' 53' ' ' VAL . 4.3 mt -49.54 -57.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 8' ' ' LEU . 10.4 mt -42.9 -59.53 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -38.37 -30.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 68.3 m-20 -121.57 54.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -85.42 -47.11 10.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.58 -45.93 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.6 mmtm -57.15 -49.44 75.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 72' ' ' ASN . 9.9 mt -40.94 144.3 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' VAL . 7.2 tttt -150.39 152.52 34.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.652 ' C ' HD12 ' A' ' 79' ' ' ILE . 4.7 m-85 -113.22 130.18 56.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.95 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.847 HG21 ' CZ ' ' A' ' 45' ' ' TYR . 1.3 mp -105.73 118.21 52.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.622 HG13 ' HB1' ' A' ' 23' ' ' ALA . 2.5 mm -115.65 112.15 38.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -90.22 -39.14 12.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.244 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -119.43 83.02 25.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -33.14 4.79 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -57.37 -27.47 62.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 mmm -82.93 -13.75 55.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.9 OUTLIER -93.97 -20.12 20.28 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.022 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.96 -47.65 16.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 17.3 m -54.31 -28.03 39.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.431 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 86' ' ' PHE . . . -80.85 -50.04 10.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.509 HD11 ' HG ' ' A' ' 24' ' ' LEU . 2.8 mp -56.83 -37.15 52.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 ptmt -76.84 -43.64 35.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.31 -52.26 66.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -46.74 100.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.034 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.5 t -140.87 111.68 7.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -144.82 91.43 0.16 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -50.99 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.1 t -146.13 -59.16 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 m -83.62 -59.52 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.988 . . . . . . . . 0 0 . 1 stop_ save_